4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

C251H313F3N24O3 — CID 158626800

IUPAC4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)cnc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CC1(C)C.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1
InChIInChI=1S/2C15H21N.C14H19NO.C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17N.C13H15N.2C12H14N2.C12H15NO.C12H15N.C12H17N.C11H14N2O.3C11H13N.C10H12N2/c1-10(2)12-6-7-14-13(8-12)9-15(4,5)11(3)16-14;1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-10-11(12-5-9)13-8(3)6-14-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9/h2*6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);4-6,8,13H,3,7H2,1-2H3;4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyHYRRFBPYSHKRPB-UHFFFAOYSA-N
MW3771.42 g/mol
LogP70.63
Rot. Bonds20

About 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline

4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 158626800) has the molecular formula C251H313F3N24O3 and a molecular weight of 3771.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID158626800
Molecular FormulaC251H313F3N24O3
Molecular Weight3771.42 g/mol
Exact Mass3768.50
IUPAC Name4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)cnc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CC1(C)C.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1
InChIInChI=1S/2C15H21N.C14H19NO.C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17N.C13H15N.2C12H14N2.C12H15NO.C12H15N.C12H17N.C11H14N2O.3C11H13N.C10H12N2/c1-10(2)12-6-7-14-13(8-12)9-15(4,5)11(3)16-14;1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-10-11(12-5-9)13-8(3)6-14-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9/h2*6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);4-6,8,13H,3,7H2,1-2H3;4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyHYRRFBPYSHKRPB-UHFFFAOYSA-N
XLogP70.63
TPSA316.78 Ų
H-Bond Donors18
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003771.42
LogP ≤ 570.63
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1023

Analyze 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 158626800) is 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is C=C1C=Cc2cc(C(C)C)c(F)cc2N1.C=C1C=Cc2cc(C(C)C)cc(F)c2N1.C=C1C=Cc2cc(C(C)C)ccc2N1.C=C1C=Cc2cc(C(C)C)ccc2N1C.C=C1C=Cc2cc(C(C)C)cnc2N1.C=C1C=Nc2cc(C(C)C)ccc2N1.C=C1CC(C)(C)c2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)cc(F)c2N1.C=C1CCc2cc(C(C)C)ccc2N1.C=C1CCc2cc(C(C)C)ccc2N1C.C=C1COc2cc(C(C)C)cnc2N1.C=C1Cc2cc(C(C)C)ccc2N1.C=C1Nc2ccc(C(C)C)cc2C(C)(C)O1.C=C1Nc2ccc(C(C)C)cc2CC1(C)C.C=C1Nc2ccc(C(C)C)cc2CO1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCCN2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.
What is the InChIKey of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HYRRFBPYSHKRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21N.C14H19NO.C14H19N.C14H17N.C13H14FN.C13H16FN.C13H14FN.C13H17N.C13H15N.2C12H14N2.C12H15NO.C12H15N.C12H17N.C11H14N2O.3C11H13N.C10H12N2/c1-10(2)12-6-7-14-13(8-12)9-15(4,5)11(3)16-14;1-10(2)12-6-7-14-13(8-12)15(4,5)9-11(3)16-14;1-9(2)11-6-7-13-12(8-11)14(4,5)16-10(3)15-13;2*1-10(2)12-7-8-14-13(9-12)6-5-11(3)15(14)4;1-8(2)11-6-10-5-4-9(3)15-13(10)7-12(11)14;2*1-8(2)11-6-10-5-4-9(3)15-13(10)12(14)7-11;2*1-9(2)11-6-7-13-12(8-11)5-4-10(3)14-13;1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11;1-8(2)11-6-10-5-4-9(3)14-12(10)13-7-11;1-8(2)10-4-5-12-11(6-10)7-14-9(3)13-12;1-8(2)10-4-5-12-11(7-10)6-9(3)13-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)9-4-10-11(12-5-9)13-8(3)6-14-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9/h2*6-8,10,16H,3,9H2,1-2,4-5H3;6-9,15H,3H2,1-2,4-5H3;7-10H,3,5-6H2,1-2,4H3;5-10H,3H2,1-2,4H3;4-8,15H,3H2,1-2H3;6-8,15H,3-5H2,1-2H3;4-8,15H,3H2,1-2H3;6-9,14H,3-5H2,1-2H3;4-9,14H,3H2,1-2H3;4-8,14H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,13,14);4-6,8,13H,3,7H2,1-2H3;4-5,7-8,13H,3,6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;4-5,7H,3,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline?
4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3771.42 g/mol, XLogP of 70.63, 20 rotatable bonds, 18 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-6-propan-2-yl-1H-3,1-benzoxazine;3,3-dimethyl-2-methylidene-6-propan-2-yl-1,4-dihydroquinoline;4,4-dimethyl-2-methylidene-6-propan-2-yl-1,3-dihydroquinoline;8-fluoro-2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;7-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;8-fluoro-2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1,4-dihydro-3,1-benzoxazine;2-methylidene-5-propan-2-yl-1,3-dihydroindole;2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline;2-methylidene-6-propan-2-yl-1H-1,8-naphthyridine;3-methylidene-7-propan-2-yl-4H-pyrido[3,2-b][1,4]oxazine;2-methylidene-6-propan-2-yl-1H-quinoline;2-methylidene-6-propan-2-yl-1H-quinoxaline;1-methyl-2-methylidene-6-propan-2-yl-3,4-dihydroquinoline;1-methyl-2-methylidene-6-propan-2-ylquinoline;bis(5-propan-2-yl-1H-indole);6-propan-2-yl-1H-indole;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158626800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).