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

C143H159FN18O14 — CID 162208178

IUPAC3-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
SMILESCCCCCC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1OC.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)NC(C)(C)C)cnc2cc1OC.CCCCNC(=O)c1ccc2ncc(C(=O)CC)c(Nc3ccccc3)c2c1.CCCCNC(=O)c1ccc2ncc(C(C)=O)c(Nc3ccccc3)c2c1
InChIInChI=1S/C26H32N4O3.C25H28N2O2.C24H27N3O3.C23H24FN3O2.C23H25N3O2.C22H23N3O2/c1-6-7-13-27-24(31)19-14-18-21(15-22(19)33-5)28-16-20(25(32)30-26(2,3)4)23(18)29-17-11-9-8-10-12-17;1-4-6-8-13-24(29)19-15-20-22(14-17(19)3)26-16-21(23(28)5-2)25(20)27-18-11-9-7-10-12-18;1-4-6-12-25-24(29)18-13-17-20(14-22(18)30-3)26-15-19(21(28)5-2)23(17)27-16-10-8-7-9-11-16;1-3-5-11-25-23(29)16-12-17-20(13-19(16)24)26-14-18(21(28)4-2)22(17)27-15-9-7-6-8-10-15;1-3-5-13-24-23(28)16-11-12-20-18(14-16)22(19(15-25-20)21(27)4-2)26-17-9-7-6-8-10-17;1-3-4-12-23-22(27)16-10-11-20-18(13-16)21(19(14-24-20)15(2)26)25-17-8-6-5-7-9-17/h8-12,14-16H,6-7,13H2,1-5H3,(H,27,31)(H,28,29)(H,30,32);7,9-12,14-16H,4-6,8,13H2,1-3H3,(H,26,27);7-11,13-15H,4-6,12H2,1-3H3,(H,25,29)(H,26,27);6-10,12-14H,3-5,11H2,1-2H3,(H,25,29)(H,26,27);6-12,14-15H,3-5,13H2,1-2H3,(H,24,28)(H,25,26);5-11,13-14H,3-4,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyZSMFCYBNTFKHCI-UHFFFAOYSA-N
MW2372.95 g/mol
LogP31.85
Rot. Bonds49

About 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

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 (PubChem CID 162208178) has the molecular formula C143H159FN18O14 and a molecular weight of 2372.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID162208178
Molecular FormulaC143H159FN18O14
Molecular Weight2372.95 g/mol
Exact Mass2371.23
IUPAC Name3-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
SMILESCCCCCC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1OC.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)NC(C)(C)C)cnc2cc1OC.CCCCNC(=O)c1ccc2ncc(C(=O)CC)c(Nc3ccccc3)c2c1.CCCCNC(=O)c1ccc2ncc(C(C)=O)c(Nc3ccccc3)c2c1
InChIInChI=1S/C26H32N4O3.C25H28N2O2.C24H27N3O3.C23H24FN3O2.C23H25N3O2.C22H23N3O2/c1-6-7-13-27-24(31)19-14-18-21(15-22(19)33-5)28-16-20(25(32)30-26(2,3)4)23(18)29-17-11-9-8-10-12-17;1-4-6-8-13-24(29)19-15-20-22(14-17(19)3)26-16-21(23(28)5-2)25(20)27-18-11-9-7-10-12-18;1-4-6-12-25-24(29)18-13-17-20(14-22(18)30-3)26-15-19(21(28)5-2)23(17)27-16-10-8-7-9-11-16;1-3-5-11-25-23(29)16-12-17-20(13-19(16)24)26-14-18(21(28)4-2)22(17)27-15-9-7-6-8-10-15;1-3-5-13-24-23(28)16-11-12-20-18(14-16)22(19(15-25-20)21(27)4-2)26-17-9-7-6-8-10-17;1-3-4-12-23-22(27)16-10-11-20-18(13-16)21(19(14-24-20)15(2)26)25-17-8-6-5-7-9-17/h8-12,14-16H,6-7,13H2,1-5H3,(H,27,31)(H,28,29)(H,30,32);7,9-12,14-16H,4-6,8,13H2,1-3H3,(H,26,27);7-11,13-15H,4-6,12H2,1-3H3,(H,25,29)(H,26,27);6-10,12-14H,3-5,11H2,1-2H3,(H,25,29)(H,26,27);6-12,14-15H,3-5,13H2,1-2H3,(H,24,28)(H,25,26);5-11,13-14H,3-4,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyZSMFCYBNTFKHCI-UHFFFAOYSA-N
XLogP31.85
TPSA445.00 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds49
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002372.95
LogP ≤ 531.85
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-anilino-7-methyl-3-propanoylquinolin-6-yl)pentan-2-one
CID 159144496
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
CID 156631271
4-anilino-N-tert-butyl-6-(2-propylsulfinylethyl)quinoline-3-carboxamide
CID 161412061
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-N-ethyl-6-[3-fluoro-4-(methylcarbamoyl)phenyl]quinoline-3-carboxamide
CID 156547219
N-butyl-4-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]-2-fluorobenzamide
CID 159668125
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
4-anilino-6-(1-ethylpyrazol-4-yl)-7-methoxy-N-methylquinoline-3-carboxamide
CID 156547134
[3-butanoyl-4-(2-methylanilino)quinolin-6-yl]methyl benzoate
CID 19923006
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
4-(3-acetylanilino)quinoline-3,6-dicarboxylic acid
CID 91206035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1C.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1F.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)CC)cnc2cc1OC.CCCCNC(=O)c1cc2c(Nc3ccccc3)c(C(=O)NC(C)(C)C)cnc2cc1OC.CCCCNC(=O)c1ccc2ncc(C(=O)CC)c(Nc3ccccc3)c2c1.CCCCNC(=O)c1ccc2ncc(C(C)=O)c(Nc3ccccc3)c2c1.
What is the InChIKey of 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?
The InChIKey is ZSMFCYBNTFKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3.C25H28N2O2.C24H27N3O3.C23H24FN3O2.C23H25N3O2.C22H23N3O2/c1-6-7-13-27-24(31)19-14-18-21(15-22(19)33-5)28-16-20(25(32)30-26(2,3)4)23(18)29-17-11-9-8-10-12-17;1-4-6-8-13-24(29)19-15-20-22(14-17(19)3)26-16-21(23(28)5-2)25(20)27-18-11-9-7-10-12-18;1-4-6-12-25-24(29)18-13-17-20(14-22(18)30-3)26-15-19(21(28)5-2)23(17)27-16-10-8-7-9-11-16;1-3-5-11-25-23(29)16-12-17-20(13-19(16)24)26-14-18(21(28)4-2)22(17)27-15-9-7-6-8-10-15;1-3-5-13-24-23(28)16-11-12-20-18(14-16)22(19(15-25-20)21(27)4-2)26-17-9-7-6-8-10-17;1-3-4-12-23-22(27)16-10-11-20-18(13-16)21(19(14-24-20)15(2)26)25-17-8-6-5-7-9-17/h8-12,14-16H,6-7,13H2,1-5H3,(H,27,31)(H,28,29)(H,30,32);7,9-12,14-16H,4-6,8,13H2,1-3H3,(H,26,27);7-11,13-15H,4-6,12H2,1-3H3,(H,25,29)(H,26,27);6-10,12-14H,3-5,11H2,1-2H3,(H,25,29)(H,26,27);6-12,14-15H,3-5,13H2,1-2H3,(H,24,28)(H,25,26);5-11,13-14H,3-4,12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 2372.95 g/mol, XLogP of 31.85, 49 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162208178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).