5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane

C93H120F7N7O2 — CID 159837209

IUPAC5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane
SMILESC=C1CCc2c(ccc(C)c2C(C)(C)C)N1.CC.CC(C)(C)c1c(OCC(F)(F)F)ccc2ncccc12.Cc1ccc2c(c1C(C)(C)C)CCC(=O)N2CC(C)(F)F.Cc1ccc2nc(C(C)(F)F)ccc2c1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ncc(-c2ccccc2)c1C(C)(C)C
InChIInChI=1S/C17H23F2NO.C16H19F2N.C15H16F3NO.C15H21N.C14H18N2.C14H17N.C2H6/c1-11-6-8-13-12(15(11)16(2,3)4)7-9-14(21)20(13)10-17(5,18)19;1-10-6-8-12-11(14(10)15(2,3)4)7-9-13(19-12)16(5,17)18;1-14(2,3)13-10-5-4-8-19-11(10)6-7-12(13)20-9-15(16,17)18;1-10-6-9-13-12(8-7-11(2)16-13)14(10)15(3,4)5;1-14(2,3)13-12(10-15-16(13)4)11-8-6-5-7-9-11;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-2/h6,8H,7,9-10H2,1-5H3;6-9H,1-5H3;4-8H,9H2,1-3H3;6,9,16H,2,7-8H2,1,3-5H3;5-10H,1-4H3;5-9H,1-4H3;1-2H3
InChIKeyNOFRQTFRAKQFPS-UHFFFAOYSA-N
MW1501.02 g/mol
LogP26.07
Rot. Bonds6

About 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane

5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane (PubChem CID 159837209) has the molecular formula C93H120F7N7O2 and a molecular weight of 1501.02 g/mol. Its IUPAC name is 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane.

Molecular Properties

Compound Name5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane
PubChem CID159837209
Molecular FormulaC93H120F7N7O2
Molecular Weight1501.02 g/mol
Exact Mass1499.94
IUPAC Name5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane
SMILESC=C1CCc2c(ccc(C)c2C(C)(C)C)N1.CC.CC(C)(C)c1c(OCC(F)(F)F)ccc2ncccc12.Cc1ccc2c(c1C(C)(C)C)CCC(=O)N2CC(C)(F)F.Cc1ccc2nc(C(C)(F)F)ccc2c1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ncc(-c2ccccc2)c1C(C)(C)C
InChIInChI=1S/C17H23F2NO.C16H19F2N.C15H16F3NO.C15H21N.C14H18N2.C14H17N.C2H6/c1-11-6-8-13-12(15(11)16(2,3)4)7-9-14(21)20(13)10-17(5,18)19;1-10-6-8-12-11(14(10)15(2,3)4)7-9-13(19-12)16(5,17)18;1-14(2,3)13-10-5-4-8-19-11(10)6-7-12(13)20-9-15(16,17)18;1-10-6-9-13-12(8-7-11(2)16-13)14(10)15(3,4)5;1-14(2,3)13-12(10-15-16(13)4)11-8-6-5-7-9-11;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-2/h6,8H,7,9-10H2,1-5H3;6-9H,1-5H3;4-8H,9H2,1-3H3;6,9,16H,2,7-8H2,1,3-5H3;5-10H,1-4H3;5-9H,1-4H3;1-2H3
InChIKeyNOFRQTFRAKQFPS-UHFFFAOYSA-N
XLogP26.07
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.02
LogP ≤ 526.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane with MolForge

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Related Compounds

N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 58263555
1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 123554016
N-methyl-2-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenoxy]acetamide;9-(6-methyl-3-pyridinyl)-1-(4-morpholin-4-ylphenyl)benzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-(4-piperidin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-[4-(2-oxo-2-piperidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 157400524
3-[2-[6-(aminomethyl)-3-pyridinyl]ethynyl]-4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide;3-(2-cinnolin-4-ylethynyl)-N-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-3-[2-(6-pyrrolidin-2-yl-3-pyridinyl)ethynyl]benzamide
CID 157404220
2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;5-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pent-1-en-3-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 157898290
1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;8-fluoro-5-methyl-6-(3-propan-2-ylphenyl)-3,4-dihydro-2H-chromene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;2-methoxy-4-(3-propan-2-ylphenyl)pyridine;2-methoxy-5-(3-propan-2-ylphenyl)pyridine;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;2-methyl-3-(3-propan-2-ylphenyl)pyridine;2-methyl-4-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)quinoline;1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]benzene
CID 158791604
8-fluoro-5-methyl-6-(3-propan-2-ylphenyl)-3,4-dihydro-2H-chromene;1-fluoro-2-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;2-methoxy-4-(3-propan-2-ylphenyl)pyridine;2-methoxy-5-(3-propan-2-ylphenyl)pyridine;4-methoxy-3-(3-propan-2-ylphenyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-4-(3-propan-2-ylphenyl)pyrazole;2-methyl-3-(3-propan-2-ylphenyl)pyridine;2-methyl-4-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)quinoline;1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]benzene
CID 159550626
5-tert-butyl-6-cyclopropylquinoline;4-tert-butyl-3,5-dicyclopropyl-1-methylpyrazole;4-tert-butyl-3,5-dicyclopropyl-1H-pyrazole;5-tert-butyl-1,6-dimethyl-3,4-dihydroquinolin-2-one;3-tert-butyl-2,4-dimethylpyridine;4-tert-butyl-3-methylcinnoline;5-tert-butyl-6-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)-3,4-dihydroquinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-4-methyl-1-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-methyl-2-(trifluoromethyl)quinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline
CID 160372072
1-[4-(4-Acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 160571960
(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 162147464
N-(1-tert-butylpyrazol-4-yl)-2-[3-methyl-4-[6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxyquinolin-4-yl]oxyphenyl]acetamide
CID 171645393
Ethyl 6-[4-[4-[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexanoate
CID 172510290

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane?
The IUPAC name of 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane (CID 159837209) is 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane.
What is the SMILES notation for 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane?
The canonical SMILES for 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane is C=C1CCc2c(ccc(C)c2C(C)(C)C)N1.CC.CC(C)(C)c1c(OCC(F)(F)F)ccc2ncccc12.Cc1ccc2c(c1C(C)(C)C)CCC(=O)N2CC(C)(F)F.Cc1ccc2nc(C(C)(F)F)ccc2c1C(C)(C)C.Cc1ccc2ncccc2c1C(C)(C)C.Cn1ncc(-c2ccccc2)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane?
The InChIKey is NOFRQTFRAKQFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO.C16H19F2N.C15H16F3NO.C15H21N.C14H18N2.C14H17N.C2H6/c1-11-6-8-13-12(15(11)16(2,3)4)7-9-14(21)20(13)10-17(5,18)19;1-10-6-8-12-11(14(10)15(2,3)4)7-9-13(19-12)16(5,17)18;1-14(2,3)13-10-5-4-8-19-11(10)6-7-12(13)20-9-15(16,17)18;1-10-6-9-13-12(8-7-11(2)16-13)14(10)15(3,4)5;1-14(2,3)13-12(10-15-16(13)4)11-8-6-5-7-9-11;1-10-7-8-12-11(6-5-9-15-12)13(10)14(2,3)4;1-2/h6,8H,7,9-10H2,1-5H3;6-9H,1-5H3;4-8H,9H2,1-3H3;6,9,16H,2,7-8H2,1,3-5H3;5-10H,1-4H3;5-9H,1-4H3;1-2H3.
What are the key properties of 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane?
5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane has a molecular weight of 1501.02 g/mol, XLogP of 26.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(1,1-difluoroethyl)-6-methylquinoline;5-tert-butyl-1-(2,2-difluoropropyl)-6-methyl-3,4-dihydroquinolin-2-one;5-tert-butyl-6-methyl-2-methylidene-3,4-dihydro-1H-quinoline;5-tert-butyl-1-methyl-4-phenylpyrazole;5-tert-butyl-6-methylquinoline;5-tert-butyl-6-(2,2,2-trifluoroethoxy)quinoline;ethane is sourced from PubChem (CID 159837209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).