4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone

C144H159FN22O6 — CID 158406379

IUPAC4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
SMILESCCCCNc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C31H34N4O2.C29H33N5O.C28H31FN4O.C28H31N5O.C28H30N4O/c1-2-3-13-32-30-12-11-23(18-34-30)25-16-26-28(15-24(25)20-36)33-19-27(29(37)14-21-9-10-21)31(26)35-17-22-7-5-4-6-8-22;1-5-6-16-30-26-15-13-21(18-32-26)20-12-14-25-23(17-20)27(33-22-10-8-7-9-11-22)24(19-31-25)28(35)34-29(2,3)4;1-2-3-8-30-26-7-6-17(14-32-26)20-12-21-24(13-23(20)29)31-15-22(25(34)9-16-4-5-16)28(21)33-27-18-10-19(27)11-18;1-4-5-15-29-26-14-12-21(17-31-26)20-11-13-25-23(16-20)27(33-22-9-7-6-8-10-22)24(18-30-25)28(34)32-19(2)3;1-3-5-16-29-27-15-13-21(18-31-27)20-12-14-25-23(17-20)28(32-22-10-7-6-8-11-22)24(19-30-25)26(33)9-4-2/h4-8,11-12,15-16,18-19,21,36H,2-3,9-10,13-14,17,20H2,1H3,(H,32,34)(H,33,35);7-15,17-19H,5-6,16H2,1-4H3,(H,30,32)(H,31,33)(H,34,35);6-7,12-16,18-19,27H,2-5,8-11H2,1H3,(H,30,32)(H,31,33);6-14,16-19H,4-5,15H2,1-3H3,(H,29,31)(H,30,33)(H,32,34);6-8,10-15,17-19H,3-5,9,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyGYTCPSIGTNNVCY-UHFFFAOYSA-N
MW2313.00 g/mol
LogP33.45
Rot. Bonds49

About 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone

4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone (PubChem CID 158406379) has the molecular formula C144H159FN22O6 and a molecular weight of 2313.00 g/mol. Its IUPAC name is 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
PubChem CID158406379
Molecular FormulaC144H159FN22O6
Molecular Weight2313.00 g/mol
Exact Mass2311.28
IUPAC Name4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
SMILESCCCCNc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C31H34N4O2.C29H33N5O.C28H31FN4O.C28H31N5O.C28H30N4O/c1-2-3-13-32-30-12-11-23(18-34-30)25-16-26-28(15-24(25)20-36)33-19-27(29(37)14-21-9-10-21)31(26)35-17-22-7-5-4-6-8-22;1-5-6-16-30-26-15-13-21(18-32-26)20-12-14-25-23(17-20)27(33-22-10-8-7-9-11-22)24(19-31-25)28(35)34-29(2,3)4;1-2-3-8-30-26-7-6-17(14-32-26)20-12-21-24(13-23(20)29)31-15-22(25(34)9-16-4-5-16)28(21)33-27-18-10-19(27)11-18;1-4-5-15-29-26-14-12-21(17-31-26)20-11-13-25-23(16-20)27(33-22-9-7-6-8-10-22)24(18-30-25)28(34)32-19(2)3;1-3-5-16-29-27-15-13-21(18-31-27)20-12-14-25-23(17-20)28(32-22-10-7-6-8-11-22)24(19-30-25)26(33)9-4-2/h4-8,11-12,15-16,18-19,21,36H,2-3,9-10,13-14,17,20H2,1H3,(H,32,34)(H,33,35);7-15,17-19H,5-6,16H2,1-4H3,(H,30,32)(H,31,33)(H,34,35);6-7,12-16,18-19,27H,2-5,8-11H2,1H3,(H,30,32)(H,31,33);6-14,16-19H,4-5,15H2,1-3H3,(H,29,31)(H,30,33)(H,32,34);6-8,10-15,17-19H,3-5,9,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyGYTCPSIGTNNVCY-UHFFFAOYSA-N
XLogP33.45
TPSA378.84 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds49
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002313.00
LogP ≤ 533.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone with MolForge

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

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Related Compounds

2-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-6-methylpyridine-3-carboxylic acid;N-[7-[5-(hydroxymethyl)-2-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974872
4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-ethylquinoline-3-carboxamide;4-anilino-6-(1-butylpyrazol-4-yl)-N-propan-2-ylquinoline-3-carboxamide;4-(benzylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(1-butylpyrazol-4-yl)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
CID 157152208
6-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157163093
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157185314
4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
CID 157189949
4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 157266394
4-anilino-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-anilino-N-cyclopropyl-7-methyl-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(benzylamino)-N-cyclopropyl-7-(hydroxymethyl)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-N-cyclopropyl-7-fluoro-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-fluoro-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;N-cyclopropyl-7-methyl-4-(methylamino)-6-(2-propylsulfonylethyl)quinoline-3-carboxamide;methane
CID 157698175
1-[4-Amino-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]-7-methylquinolin-3-yl]-2-cyclopropylethanone;1-[6-[6-(butylamino)-3-pyridinyl]-7-fluoro-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone;1-[6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone;1-[6-[6-(butylamino)-3-pyridinyl]-7-methyl-4-(methylamino)quinolin-3-yl]-2-cyclopropylethanone
CID 157748430
4-anilino-6-(6-butoxy-3-pyridinyl)-N-tert-butylquinoline-3-carboxamide;4-anilino-6-(6-butoxy-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(6-butoxy-3-pyridinyl)quinolin-3-yl]butan-1-one;1-[4-(benzylamino)-6-(6-butoxy-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butoxy-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 157952873
4-anilino-6-(6-butyl-3-pyridinyl)-N-ethylquinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]-2-cyclopropylethanone;4-anilino-6-(6-butyl-3-pyridinyl)-N-propan-2-ylquinoline-3-carboxamide;1-[4-(benzylamino)-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]-2-cyclopropylethanone
CID 158012024
2-[4-(3-Acetyl-4-anilinoquinolin-6-yl)-2-fluorophenyl]heptan-4-one;2-[4-[4-anilino-7-(hydroxymethyl)-3-propanoylquinolin-6-yl]-2-fluorophenyl]heptan-4-one;2-[4-(4-anilino-3-propanoylquinolin-6-yl)-2-fluorophenyl]heptan-4-one
CID 158140396
4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one
CID 158224317

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone?
The IUPAC name of 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone (CID 158406379) is 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone.
What is the SMILES notation for 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone?
The canonical SMILES for 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone is CCCCNc1ccc(-c2cc3c(NC4C5CC4C5)c(C(=O)CC4CC4)cnc3cc2F)cn1.CCCCNc1ccc(-c2cc3c(NCc4ccccc4)c(C(=O)CC4CC4)cnc3cc2CO)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)CCC)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)(C)C)c(Nc4ccccc4)c3c2)cn1.CCCCNc1ccc(-c2ccc3ncc(C(=O)NC(C)C)c(Nc4ccccc4)c3c2)cn1.
What is the InChIKey of 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone?
The InChIKey is GYTCPSIGTNNVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2.C29H33N5O.C28H31FN4O.C28H31N5O.C28H30N4O/c1-2-3-13-32-30-12-11-23(18-34-30)25-16-26-28(15-24(25)20-36)33-19-27(29(37)14-21-9-10-21)31(26)35-17-22-7-5-4-6-8-22;1-5-6-16-30-26-15-13-21(18-32-26)20-12-14-25-23(17-20)27(33-22-10-8-7-9-11-22)24(19-31-25)28(35)34-29(2,3)4;1-2-3-8-30-26-7-6-17(14-32-26)20-12-21-24(13-23(20)29)31-15-22(25(34)9-16-4-5-16)28(21)33-27-18-10-19(27)11-18;1-4-5-15-29-26-14-12-21(17-31-26)20-11-13-25-23(16-20)27(33-22-9-7-6-8-10-22)24(18-30-25)28(34)32-19(2)3;1-3-5-16-29-27-15-13-21(18-31-27)20-12-14-25-23(17-20)28(32-22-10-7-6-8-11-22)24(19-30-25)26(33)9-4-2/h4-8,11-12,15-16,18-19,21,36H,2-3,9-10,13-14,17,20H2,1H3,(H,32,34)(H,33,35);7-15,17-19H,5-6,16H2,1-4H3,(H,30,32)(H,31,33)(H,34,35);6-7,12-16,18-19,27H,2-5,8-11H2,1H3,(H,30,32)(H,31,33);6-14,16-19H,4-5,15H2,1-3H3,(H,29,31)(H,30,33)(H,32,34);6-8,10-15,17-19H,3-5,9,16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone?
4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone has a molecular weight of 2313.00 g/mol, XLogP of 33.45, 49 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-[6-(butylamino)-3-pyridinyl]-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-[6-(butylamino)-3-pyridinyl]quinoline-3-carboxamide;1-[4-(benzylamino)-6-[6-(butylamino)-3-pyridinyl]-7-(hydroxymethyl)quinolin-3-yl]-2-cyclopropylethanone;1-[4-(2-bicyclo[1.1.1]pentanylamino)-6-[6-(butylamino)-3-pyridinyl]-7-fluoroquinolin-3-yl]-2-cyclopropylethanone is sourced from PubChem (CID 158406379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).