5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol

C246H287ClF3N13O12 — CID 160821315

IUPAC5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol
SMILESC=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C14H16O.2C13H13FO.C13H19NO.C13H14O.2C13H16.C12H13Cl.C12H16N2O.C12H15NO2.C12H13NO.C12H15N.C12H13N.C11H12FN.3C11H13N.C10H12N2O/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;3,5-8H,4H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);3-8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-7,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3
InChIKeySFOXSAVLTQWIBF-UHFFFAOYSA-N
MW3710.53 g/mol
LogP64.34
Rot. Bonds20

About 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol

5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol (PubChem CID 160821315) has the molecular formula C246H287ClF3N13O12 and a molecular weight of 3710.53 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol
PubChem CID160821315
Molecular FormulaC246H287ClF3N13O12
Molecular Weight3710.53 g/mol
Exact Mass3707.19
IUPAC Name5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol
SMILESC=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2
InChIInChI=1S/3C14H16O.2C13H13FO.C13H19NO.C13H14O.2C13H16.C12H13Cl.C12H16N2O.C12H15NO2.C12H13NO.C12H15N.C12H13N.C11H12FN.3C11H13N.C10H12N2O/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;3,5-8H,4H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);3-8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-7,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3
InChIKeySFOXSAVLTQWIBF-UHFFFAOYSA-N
XLogP64.34
TPSA399.68 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003710.53
LogP ≤ 564.34
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol with MolForge

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Related Compounds

(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(2S)-N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 157126915
N-[(1S)-1-[3-(3-acetylphenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;2-chloro-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-hydroxy-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-methylphenyl)-2-pyridinyl]ethyl]-2-(6-hydroxy-3H-inden-1-yl)acetamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 159210884
(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(2-oxo-1,5-dihydrocyclopenta[b]pyridin-7-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 159298144
(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;7-[(4R)-5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)-2-pyridinyl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 159576298
(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;2-chloro-5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 161698297
(4R)-4-[3-(3-acetyl-4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;7-[(4R)-4-[3-(4-chlorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(3-methylphenyl)-2-pyridinyl]pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide
CID 161988294
2-chloro-6-(2-methylpropyl)naphthalene;4,6-dimethyl-5-(3-methylbutyl)pyridin-2-amine;5,7-dimethyl-6-(2-methylpropyl)isoquinolin-1-amine;4,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;2-[(4-hydroxyphenyl)methyl]-N,3-dimethylbutanamide;2-(1H-imidazol-5-ylmethyl)-N,3-dimethylbutanamide;2-(1H-indol-3-ylmethyl)-N,3-dimethylbutanamide;6-(3-methylbutyl)naphthalen-1-amine;1-[4-(3-methylbutyl)phenyl]ethenamine;[4-(3-methylbutyl)phenyl]methanamine;4-(2-methylpropyl)benzenecarboximidamide;6-(2-methylpropyl)isoquinolin-1-amine;[4-(2-methylpropyl)phenyl]methanamine
CID 157830637
3-ethyl-1-propan-2-ylisoquinoline;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;methane;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-1H-quinoline;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158879339
(2R,5S)-5-(4-aminobutanoylamino)-2-[(4-chlorophenyl)methyl]-N-[(2S)-6-(6-fluoro-3H-inden-1-yl)-3-oxo-1-pyridin-4-ylhexan-2-yl]-6-(5-hydroxy-1H-indol-3-yl)-4-oxohexanamide;(2R,5S)-5-(4-aminobutanoylamino)-2-[(4-chlorophenyl)methyl]-6-(5-hydroxy-1H-indol-3-yl)-N-[(2S)-6-(3H-inden-1-yl)-3-oxo-1-pyridin-4-ylhexan-2-yl]-4-oxohexanamide;(2S,5S)-5-[[(2R,5S)-5-(4-aminobutanoylamino)-2-[(4-chlorophenyl)methyl]-6-(5-hydroxy-1H-indol-3-yl)-4-oxohexanoyl]amino]-2-(3H-inden-1-ylmethyl)-4-oxo-6-pyridin-4-ylhexanamide;(2S,5S)-5-[[(2R,5S)-5-(5-aminopentanoylamino)-2-[(4-chlorophenyl)methyl]-6-(5-hydroxy-1H-indol-3-yl)-4-oxohexanoyl]amino]-2-(3H-inden-1-ylmethyl)-4-oxo-6-pyridin-4-ylhexanamide
CID 159104065
6-chloro-4-propan-2-ylnaphthalen-2-ol;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methoxy-1-propan-2-ylnaphthalene;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;6-methyl-4-propan-2-ylnaphthalen-2-ol;7-methyl-4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylcinnoline;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinolin-6-ol;4-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159730190
4-chloro-3-propan-2-yl-1H-indene;5-chloro-3-propan-2-yl-1H-indene;6-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;8-propan-2-ylindolizin-6-ol;8-propan-2-ylquinoline
CID 160162671
5-chloro-3-propan-2-yl-1H-indene;7-chloro-4-propan-2-ylnaphthalen-2-ol;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol
CID 160495437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol?
The IUPAC name of 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol (CID 160821315) is 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol?
The canonical SMILES for 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol is C=C1NCc2cc(O)cc(C(C)C)c2N1.CC(C)C1=CCc2ccc(Cl)cc21.CC(C)c1c(F)ccc2cc[nH]c12.CC(C)c1cc(O)c(F)c2ccccc12.CC(C)c1cc(O)cc2c1=NCN=2.CC(C)c1cc(O)cc2c1CN(C)CC2.CC(C)c1cc(O)cc2c1NC(=O)CC2.CC(C)c1cc(O)cc2cc(F)ccc12.CC(C)c1cc(O)cc2ccccc12.CC(C)c1cc(O)cc2cccnc12.CC(C)c1cccc2cccnc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1cncc2c1C=CC2.CC(C)c1nccc2c1C=CC2.Cc1ccc2c(C(C)C)cc(O)cc2c1.Cc1ccc2c(c1C(C)C)C=CC2.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc(O)cc(C(C)C)c2c1.Cc1ccc2cc[nH]c2c1C(C)C.Cc1cccc2c1C(C(C)C)=CC2.
What is the InChIKey of 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol?
The InChIKey is SFOXSAVLTQWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H16O.2C13H13FO.C13H19NO.C13H14O.2C13H16.C12H13Cl.C12H16N2O.C12H15NO2.C12H13NO.C12H15N.C12H13N.C11H12FN.3C11H13N.C10H12N2O/c1-9(2)14-8-12(15)7-11-6-10(3)4-5-13(11)14;2*1-9(2)13-8-12(15)7-11-5-4-10(3)6-14(11)13;1-8(2)13-7-11(15)6-9-5-10(14)3-4-12(9)13;1-8(2)11-7-12(15)13(14)10-6-4-3-5-9(10)11;1-9(2)12-7-11(15)6-10-4-5-14(3)8-13(10)12;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-9(2)13-10(3)7-8-11-5-4-6-12(11)13;1-9(2)12-8-7-11-6-4-5-10(3)13(11)12;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-7(2)11-5-10(15)4-9-6-13-8(3)14-12(9)11;1-7(2)10-6-9(14)5-8-3-4-11(15)13-12(8)10;1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11;1-8(2)11-9(3)4-5-10-6-7-13-12(10)11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-7(2)10-9(12)4-3-8-5-6-13-11(8)10;1-8(2)11-7-12-6-9-4-3-5-10(9)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)11-10-5-3-4-9(10)6-7-12-11;1-6(2)8-3-7(13)4-9-10(8)12-5-11-9/h3*4-9,15H,1-3H3;2*3-8,15H,1-2H3;6-7,9,15H,4-5,8H2,1-3H3;3-9,14H,1-2H3;4,6-9H,5H2,1-3H3;4-6,8-9H,7H2,1-3H3;3,5-8H,4H2,1-2H3;4-5,7,13-15H,3,6H2,1-2H3;5-7,14H,3-4H2,1-2H3,(H,13,15);3-8,14H,1-2H3;4-8,13H,1-3H3;3-9H,1-2H3;3-7,13H,1-2H3;3,5-8H,4H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-8H,4H2,1-2H3;3-4,6,13H,5H2,1-2H3.
What are the key properties of 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol?
5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol has a molecular weight of 3710.53 g/mol, XLogP of 64.34, 20 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-yl-1H-indene;6-fluoro-7-propan-2-yl-1H-indole;1-fluoro-4-propan-2-ylnaphthalen-2-ol;7-fluoro-4-propan-2-ylnaphthalen-2-ol;6-hydroxy-8-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;2-methylidene-8-propan-2-yl-3,4-dihydro-1H-quinazolin-6-ol;2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-ol;4-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;6-methyl-7-propan-2-yl-1H-indole;bis(6-methyl-4-propan-2-ylnaphthalen-2-ol);7-methyl-4-propan-2-ylnaphthalen-2-ol;7-propan-2-yl-2H-benzimidazol-5-ol;4-propan-2-yl-7H-cyclopenta[b]pyridine;1-propan-2-yl-5H-cyclopenta[c]pyridine;4-propan-2-yl-7H-cyclopenta[c]pyridine;4-propan-2-ylnaphthalen-2-ol;8-propan-2-ylquinoline;8-propan-2-ylquinolin-6-ol is sourced from PubChem (CID 160821315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).