4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide

C155H157F3N10O12 — CID 158504122

IUPAC4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC(C)(C)C)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(C)=O)c(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C34H38N2O3.C31H29F3N2O2.C31H32N2O3.C30H30N2O2.C29H28N2O2/c1-6-7-17-35-33(38)25-15-13-24(14-16-25)26-19-28-27(18-23-11-9-8-10-12-23)29(31(37)21-34(2,3)4)22-36-30(28)20-32(26)39-5;1-3-5-15-35-30(38)22-13-11-21(12-14-22)23-17-25-24(16-20-9-7-6-8-10-20)26(29(37)4-2)19-36-28(25)18-27(23)31(32,33)34;1-4-6-16-32-31(35)23-14-12-22(13-15-23)24-18-26-25(17-21-10-8-7-9-11-21)27(29(34)5-2)20-33-28(26)19-30(24)36-3;1-3-5-17-31-30(34)23-13-11-22(12-14-23)24-15-16-28-26(19-24)25(18-21-9-7-6-8-10-21)27(20-32-28)29(33)4-2;1-3-4-16-30-29(33)23-12-10-22(11-13-23)24-14-15-28-26(18-24)25(27(19-31-28)20(2)32)17-21-8-6-5-7-9-21/h8-16,19-20,22H,6-7,17-18,21H2,1-5H3,(H,35,38);6-14,17-19H,3-5,15-16H2,1-2H3,(H,35,38);7-15,18-20H,4-6,16-17H2,1-3H3,(H,32,35);6-16,19-20H,3-5,17-18H2,1-2H3,(H,31,34);5-15,18-19H,3-4,16-17H2,1-2H3,(H,30,33)
InChIKeyHKGLTRRQZPONLW-UHFFFAOYSA-N
MW2409.01 g/mol
LogP34.75
Rot. Bonds46

About 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide

4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide (PubChem CID 158504122) has the molecular formula C155H157F3N10O12 and a molecular weight of 2409.01 g/mol. Its IUPAC name is 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide.

Molecular Properties

Compound Name4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide
PubChem CID158504122
Molecular FormulaC155H157F3N10O12
Molecular Weight2409.01 g/mol
Exact Mass2407.19
IUPAC Name4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC(C)(C)C)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(C)=O)c(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C34H38N2O3.C31H29F3N2O2.C31H32N2O3.C30H30N2O2.C29H28N2O2/c1-6-7-17-35-33(38)25-15-13-24(14-16-25)26-19-28-27(18-23-11-9-8-10-12-23)29(31(37)21-34(2,3)4)22-36-30(28)20-32(26)39-5;1-3-5-15-35-30(38)22-13-11-21(12-14-22)23-17-25-24(16-20-9-7-6-8-10-20)26(29(37)4-2)19-36-28(25)18-27(23)31(32,33)34;1-4-6-16-32-31(35)23-14-12-22(13-15-23)24-18-26-25(17-21-10-8-7-9-11-21)27(29(34)5-2)20-33-28(26)19-30(24)36-3;1-3-5-17-31-30(34)23-13-11-22(12-14-23)24-15-16-28-26(19-24)25(18-21-9-7-6-8-10-21)27(20-32-28)29(33)4-2;1-3-4-16-30-29(33)23-12-10-22(11-13-23)24-14-15-28-26(18-24)25(27(19-31-28)20(2)32)17-21-8-6-5-7-9-21/h8-16,19-20,22H,6-7,17-18,21H2,1-5H3,(H,35,38);6-14,17-19H,3-5,15-16H2,1-2H3,(H,35,38);7-15,18-20H,4-6,16-17H2,1-3H3,(H,32,35);6-16,19-20H,3-5,17-18H2,1-2H3,(H,31,34);5-15,18-19H,3-4,16-17H2,1-2H3,(H,30,33)
InChIKeyHKGLTRRQZPONLW-UHFFFAOYSA-N
XLogP34.75
TPSA313.76 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds46
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.01
LogP ≤ 534.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide with MolForge

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Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
7-Methoxy-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-6-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 67388279
N-[(S)-(7-methoxyquinolin-3-yl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71143981
N-[(7-methoxyquinolin-3-yl)-[3-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-7-carboxamide
CID 71143982
N-[4-[1-[7-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
CID 89462995
N-[4-[2-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
CID 89462997
7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-one
CID 117861503
7-Methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-one
CID 117861559
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
CID 123670306
N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide
CID 129275976
8-methoxy-5-piperidin-4-yl-N-[4-piperidin-4-yl-1-(trifluoromethyl)isoquinolin-6-yl]isoquinoline-3-carboxamide
CID 138572924
(2S)-2-[9-[4-[8-[(S)-carboxy-[(2-methylpropan-2-yl)oxy]methyl]-7,10-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-yl]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl]-3-fluoro-7,10-dimethyl-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 144676852

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide?
The IUPAC name of 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide (CID 158504122) is 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide.
What is the SMILES notation for 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide?
The canonical SMILES for 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide is CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC(C)(C)C)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)cc1.CCCCNC(=O)c1ccc(-c2ccc3ncc(C(C)=O)c(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide?
The InChIKey is HKGLTRRQZPONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O3.C31H29F3N2O2.C31H32N2O3.C30H30N2O2.C29H28N2O2/c1-6-7-17-35-33(38)25-15-13-24(14-16-25)26-19-28-27(18-23-11-9-8-10-12-23)29(31(37)21-34(2,3)4)22-36-30(28)20-32(26)39-5;1-3-5-15-35-30(38)22-13-11-21(12-14-22)23-17-25-24(16-20-9-7-6-8-10-20)26(29(37)4-2)19-36-28(25)18-27(23)31(32,33)34;1-4-6-16-32-31(35)23-14-12-22(13-15-23)24-18-26-25(17-21-10-8-7-9-11-21)27(29(34)5-2)20-33-28(26)19-30(24)36-3;1-3-5-17-31-30(34)23-13-11-22(12-14-23)24-15-16-28-26(19-24)25(18-21-9-7-6-8-10-21)27(20-32-28)29(33)4-2;1-3-4-16-30-29(33)23-12-10-22(11-13-23)24-14-15-28-26(18-24)25(27(19-31-28)20(2)32)17-21-8-6-5-7-9-21/h8-16,19-20,22H,6-7,17-18,21H2,1-5H3,(H,35,38);6-14,17-19H,3-5,15-16H2,1-2H3,(H,35,38);7-15,18-20H,4-6,16-17H2,1-3H3,(H,32,35);6-16,19-20H,3-5,17-18H2,1-2H3,(H,31,34);5-15,18-19H,3-4,16-17H2,1-2H3,(H,30,33).
What are the key properties of 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide?
4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide has a molecular weight of 2409.01 g/mol, XLogP of 34.75, 46 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetyl-4-benzylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-(3,3-dimethylbutanoyl)-7-methoxyquinolin-6-yl]-N-butylbenzamide;4-(4-benzyl-7-methoxy-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylbenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butylbenzamide is sourced from PubChem (CID 158504122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).