2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane

C135H155F4N11O9 — CID 159987699

IUPAC2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane
SMILESC.C.C.C.CCCC(=O)CC(C)c1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cc1F
InChIInChI=1S/C34H36FN3O3.C33H36FN3O2.C32H34FN3O2.C32H33FN2O2.4CH4/c1-3-7-26(40)14-21(2)27-13-10-23(15-31(27)35)28-17-29-32(16-24(28)20-39)36-19-30(34(41)38-25-11-12-25)33(29)37-18-22-8-5-4-6-9-22;1-6-10-25(38)17-21(2)26-15-13-23(19-29(26)34)22-14-16-30-27(18-22)31(36-24-11-8-7-9-12-24)28(20-35-30)32(39)37-33(3,4)5;1-5-9-25(37)16-21(4)26-14-12-23(18-29(26)33)22-13-15-30-27(17-22)31(36-24-10-7-6-8-11-24)28(19-34-30)32(38)35-20(2)3;1-4-9-25(36)17-21(3)26-15-13-23(19-29(26)33)22-14-16-30-27(18-22)32(35-24-11-7-6-8-12-24)28(20-34-30)31(37)10-5-2;;;;/h4-6,8-10,13,15-17,19,21,25,39H,3,7,11-12,14,18,20H2,1-2H3,(H,36,37)(H,38,41);7-9,11-16,18-21H,6,10,17H2,1-5H3,(H,35,36)(H,37,39);6-8,10-15,17-21H,5,9,16H2,1-4H3,(H,34,36)(H,35,38);6-8,11-16,18-21H,4-5,9-10,17H2,1-3H3,(H,34,35);4*1H4
InChIKeyOGNVXLJHBJTXAA-UHFFFAOYSA-N
MW2151.78 g/mol
LogP34.04
Rot. Bonds42

About 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane

2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane (PubChem CID 159987699) has the molecular formula C135H155F4N11O9 and a molecular weight of 2151.78 g/mol. Its IUPAC name is 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane.

Molecular Properties

Compound Name2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane
PubChem CID159987699
Molecular FormulaC135H155F4N11O9
Molecular Weight2151.78 g/mol
Exact Mass2150.19
IUPAC Name2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane
SMILESC.C.C.C.CCCC(=O)CC(C)c1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cc1F
InChIInChI=1S/C34H36FN3O3.C33H36FN3O2.C32H34FN3O2.C32H33FN2O2.4CH4/c1-3-7-26(40)14-21(2)27-13-10-23(15-31(27)35)28-17-29-32(16-24(28)20-39)36-19-30(34(41)38-25-11-12-25)33(29)37-18-22-8-5-4-6-9-22;1-6-10-25(38)17-21(2)26-15-13-23(19-29(26)34)22-14-16-30-27(18-22)31(36-24-11-8-7-9-12-24)28(20-35-30)32(39)37-33(3,4)5;1-5-9-25(37)16-21(4)26-14-12-23(18-29(26)33)22-13-15-30-27(17-22)31(36-24-10-7-6-8-11-24)28(19-34-30)32(38)35-20(2)3;1-4-9-25(36)17-21(3)26-15-13-23(19-29(26)33)22-14-16-30-27(18-22)32(35-24-11-7-6-8-12-24)28(20-34-30)31(37)10-5-2;;;;/h4-6,8-10,13,15-17,19,21,25,39H,3,7,11-12,14,18,20H2,1-2H3,(H,36,37)(H,38,41);7-9,11-16,18-21H,6,10,17H2,1-5H3,(H,35,36)(H,37,39);6-8,10-15,17-21H,5,9,16H2,1-4H3,(H,34,36)(H,35,38);6-8,11-16,18-21H,4-5,9-10,17H2,1-3H3,(H,34,35);4*1H4
InChIKeyOGNVXLJHBJTXAA-UHFFFAOYSA-N
XLogP34.04
TPSA292.56 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002151.78
LogP ≤ 534.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane with MolForge

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Related Compounds

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[4-(2,4-Diethylphenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
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methanol;N-(3-methylquinolin-7-yl)-2-[4-(trifluoromethyl)phenyl]benzamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 90948785
18-(4-Ethenylphenyl)-7-(4-fluorophenyl)-19-hydroxy-7,11,18,22-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17-trione
CID 145429787
(2S)-2-[[4-[[(2R)-4-[5-[(2S)-2-carboxy-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]ethyl]-8-[1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]quinolin-2-yl]-1,1,1-trifluorobutan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(6-fluoro-1,2-dimethyl-4-oxoquinolin-3-yl)quinolin-5-yl]propanoic acid
CID 146615040
4-[3-(Cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid
CID 149390277
MTH1 degrader-1
CID 152172355
4-[3-(Cyclopropylcarbamoyl)-4-(diethylamino)-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzoic acid
CID 156579365
3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[5-(pyridin-4-ylamino)-3-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042791
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-fluorobenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-fluorobenzamide
CID 157164002
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157623718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane?
The IUPAC name of 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane (CID 159987699) is 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane.
What is the SMILES notation for 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane?
The canonical SMILES for 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane is C.C.C.C.CCCC(=O)CC(C)c1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)NC4CC4)cnc3cc2CO)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cc1F.CCCC(=O)CC(C)c1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cc1F.
What is the InChIKey of 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane?
The InChIKey is OGNVXLJHBJTXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN3O3.C33H36FN3O2.C32H34FN3O2.C32H33FN2O2.4CH4/c1-3-7-26(40)14-21(2)27-13-10-23(15-31(27)35)28-17-29-32(16-24(28)20-39)36-19-30(34(41)38-25-11-12-25)33(29)37-18-22-8-5-4-6-9-22;1-6-10-25(38)17-21(2)26-15-13-23(19-29(26)34)22-14-16-30-27(18-22)31(36-24-11-8-7-9-12-24)28(20-35-30)32(39)37-33(3,4)5;1-5-9-25(37)16-21(4)26-14-12-23(18-29(26)33)22-13-15-30-27(17-22)31(36-24-10-7-6-8-11-24)28(19-34-30)32(38)35-20(2)3;1-4-9-25(36)17-21(3)26-15-13-23(19-29(26)33)22-14-16-30-27(18-22)32(35-24-11-7-6-8-12-24)28(20-34-30)31(37)10-5-2;;;;/h4-6,8-10,13,15-17,19,21,25,39H,3,7,11-12,14,18,20H2,1-2H3,(H,36,37)(H,38,41);7-9,11-16,18-21H,6,10,17H2,1-5H3,(H,35,36)(H,37,39);6-8,10-15,17-21H,5,9,16H2,1-4H3,(H,34,36)(H,35,38);6-8,11-16,18-21H,4-5,9-10,17H2,1-3H3,(H,34,35);4*1H4.
What are the key properties of 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane?
2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane has a molecular weight of 2151.78 g/mol, XLogP of 34.04, 42 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-anilino-3-butanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one;4-anilino-N-tert-butyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]quinoline-3-carboxamide;4-anilino-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-6-[3-fluoro-4-(4-oxoheptan-2-yl)phenyl]-7-(hydroxymethyl)quinoline-3-carboxamide;methane is sourced from PubChem (CID 159987699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).