4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide

C134H139F5N8O9 — CID 159032824

IUPAC4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cc1C
InChIInChI=1S/C35H38N2O3.C34H33F3N2O2.C33H33FN2O2.C32H35FN2O2/c1-4-5-17-36-35(39)27-16-14-26(18-23(27)2)29-20-30-28(15-13-24-9-7-6-8-10-24)31(33(38)19-25-11-12-25)22-37-32(30)21-34(29)40-3;1-3-4-14-38-33(41)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(40)17-23-10-11-23)20-39-31(28)19-30(26)34(35,36)37;1-3-4-14-35-33(38)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(37)17-23-10-11-23)20-36-31(28)19-30(26)34;1-3-4-9-34-32(37)23-8-7-20(10-18(23)2)25-15-27-26(14-24-21-12-22(24)13-21)28(31(36)11-19-5-6-19)17-35-30(27)16-29(25)33/h6-10,14,16,18,20-22,25H,4-5,11-13,15,17,19H2,1-3H3,(H,36,39);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,38,41);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,35,38);7-8,10,15-17,19,21-22,24H,3-6,9,11-14H2,1-2H3,(H,34,37)
InChIKeyJVBZANHVYMJYOK-UHFFFAOYSA-N
MW2100.62 g/mol
LogP30.36
Rot. Bonds42

About 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide

4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide (PubChem CID 159032824) has the molecular formula C134H139F5N8O9 and a molecular weight of 2100.62 g/mol. Its IUPAC name is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide
PubChem CID159032824
Molecular FormulaC134H139F5N8O9
Molecular Weight2100.62 g/mol
Exact Mass2099.06
IUPAC Name4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cc1C
InChIInChI=1S/C35H38N2O3.C34H33F3N2O2.C33H33FN2O2.C32H35FN2O2/c1-4-5-17-36-35(39)27-16-14-26(18-23(27)2)29-20-30-28(15-13-24-9-7-6-8-10-24)31(33(38)19-25-11-12-25)22-37-32(30)21-34(29)40-3;1-3-4-14-38-33(41)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(40)17-23-10-11-23)20-39-31(28)19-30(26)34(35,36)37;1-3-4-14-35-33(38)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(37)17-23-10-11-23)20-36-31(28)19-30(26)34;1-3-4-9-34-32(37)23-8-7-20(10-18(23)2)25-15-27-26(14-24-21-12-22(24)13-21)28(31(36)11-19-5-6-19)17-35-30(27)16-29(25)33/h6-10,14,16,18,20-22,25H,4-5,11-13,15,17,19H2,1-3H3,(H,36,39);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,38,41);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,35,38);7-8,10,15-17,19,21-22,24H,3-6,9,11-14H2,1-2H3,(H,34,37)
InChIKeyJVBZANHVYMJYOK-UHFFFAOYSA-N
XLogP30.36
TPSA245.47 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds42
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.62
LogP ≤ 530.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-fluorobenzamide
CID 159668125
N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
CID 157418250
N-butyl-6-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 161072637
N-butyl-6-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]pyridine-3-carboxamide
CID 160903744
5-[4-benzyl-3-(3,3-dimethylbutanoyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide
CID 159147203
1-[6-(6-butyl-3-pyridinyl)-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone
CID 161307022
4-[4-benzyl-3-(3,3-dimethylbutanoyl)quinolin-6-yl]-N-(2-propoxyethyl)benzamide
CID 160671362
4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide
CID 159412540
1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone
CID 161307024
3-acetyl-4-anilino-N-butylquinoline-6-carboxamide;4-anilino-6-N-butyl-3-N-tert-butyl-7-methoxyquinoline-3,6-dicarboxamide;4-anilino-N-butyl-7-fluoro-3-propanoylquinoline-6-carboxamide;4-anilino-N-butyl-7-methoxy-3-propanoylquinoline-6-carboxamide;4-anilino-N-butyl-3-propanoylquinoline-6-carboxamide;1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)hexan-1-one
CID 162208178
5-[3-(cyclopropylcarbamoyl)-4-(methylamino)-7-(trifluoromethyl)quinolin-6-yl]pyridine-2-carboxylic acid
CID 150451439
N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
CID 156547225

Frequently Asked Questions

What is the IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide?
The IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide (CID 159032824) is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide?
The canonical SMILES for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide is CCCCNC(=O)c1ccc(-c2cc3c(CC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(Cc4ccccc4)c(C(=O)CC4CC4)cnc3cc2F)cc1C.
What is the InChIKey of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide?
The InChIKey is JVBZANHVYMJYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O3.C34H33F3N2O2.C33H33FN2O2.C32H35FN2O2/c1-4-5-17-36-35(39)27-16-14-26(18-23(27)2)29-20-30-28(15-13-24-9-7-6-8-10-24)31(33(38)19-25-11-12-25)22-37-32(30)21-34(29)40-3;1-3-4-14-38-33(41)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(40)17-23-10-11-23)20-39-31(28)19-30(26)34(35,36)37;1-3-4-14-35-33(38)25-13-12-24(15-21(25)2)26-18-28-27(16-22-8-6-5-7-9-22)29(32(37)17-23-10-11-23)20-36-31(28)19-30(26)34;1-3-4-9-34-32(37)23-8-7-20(10-18(23)2)25-15-27-26(14-24-21-12-22(24)13-21)28(31(36)11-19-5-6-19)17-35-30(27)16-29(25)33/h6-10,14,16,18,20-22,25H,4-5,11-13,15,17,19H2,1-3H3,(H,36,39);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,38,41);5-9,12-13,15,18-20,23H,3-4,10-11,14,16-17H2,1-2H3,(H,35,38);7-8,10,15-17,19,21-22,24H,3-6,9,11-14H2,1-2H3,(H,34,37).
What are the key properties of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide?
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide has a molecular weight of 2100.62 g/mol, XLogP of 30.36, 42 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-methylbenzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-methylbenzamide is sourced from PubChem (CID 159032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).