4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate

C146H115N23O11 — CID 160643729

IUPAC4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1
InChIInChI=1S/C30H27N5O.C30H24N4O3.C29H21N5O.C29H22N4O3.C28H21N5O3/c1-35(2)25-13-14-27-26(19-25)28(16-17-31-27)34-29-15-10-23(20-32-29)30(36)33-24-11-8-22(9-12-24)18-21-6-4-3-5-7-21;1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-23-10-7-21(8-11-23)17-20-5-3-2-4-6-20;1-30-23-11-13-26-25(18-23)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-22-9-7-21(8-10-22)17-20-5-3-2-4-6-20;34-28(33-22-9-6-20(7-10-22)16-19-4-2-1-3-5-19)27-13-11-23(18-31-27)32-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;34-28(32-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19)27-12-10-22(18-30-27)31-26-14-15-29-25-13-11-23(33(35)36)17-24(25)26/h3-17,19-20H,18H2,1-2H3,(H,33,36)(H,31,32,34);2-16,18-19H,17H2,1H3,(H,31,33)(H,34,35);2-16,18-19H,17H2,(H,31,33)(H,34,35);1-15,17-18H,16H2,(H,30,32)(H,33,34)(H,35,36);1-15,17-18H,16H2,(H,29,31)(H,32,34)
InChIKeyRJMZTXHPIZTJGZ-UHFFFAOYSA-N
MW2367.68 g/mol
LogP31.09
Rot. Bonds34

About 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate

4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate (PubChem CID 160643729) has the molecular formula C146H115N23O11 and a molecular weight of 2367.68 g/mol. Its IUPAC name is 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Name4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate
PubChem CID160643729
Molecular FormulaC146H115N23O11
Molecular Weight2367.68 g/mol
Exact Mass2365.91
IUPAC Name4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1
InChIInChI=1S/C30H27N5O.C30H24N4O3.C29H21N5O.C29H22N4O3.C28H21N5O3/c1-35(2)25-13-14-27-26(19-25)28(16-17-31-27)34-29-15-10-23(20-32-29)30(36)33-24-11-8-22(9-12-24)18-21-6-4-3-5-7-21;1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-23-10-7-21(8-11-23)17-20-5-3-2-4-6-20;1-30-23-11-13-26-25(18-23)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-22-9-7-21(8-10-22)17-20-5-3-2-4-6-20;34-28(33-22-9-6-20(7-10-22)16-19-4-2-1-3-5-19)27-13-11-23(18-31-27)32-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;34-28(32-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19)27-12-10-22(18-30-27)31-26-14-15-29-25-13-11-23(33(35)36)17-24(25)26/h3-17,19-20H,18H2,1-2H3,(H,33,36)(H,31,32,34);2-16,18-19H,17H2,1H3,(H,31,33)(H,34,35);2-16,18-19H,17H2,(H,31,33)(H,34,35);1-15,17-18H,16H2,(H,30,32)(H,33,34)(H,35,36);1-15,17-18H,16H2,(H,29,31)(H,32,34)
InChIKeyRJMZTXHPIZTJGZ-UHFFFAOYSA-N
XLogP31.09
TPSA448.89 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002367.68
LogP ≤ 531.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate?
The IUPAC name of 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate (CID 160643729) is 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate?
The canonical SMILES for 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)nc3)c2c1.
What is the InChIKey of 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate?
The InChIKey is RJMZTXHPIZTJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O.C30H24N4O3.C29H21N5O.C29H22N4O3.C28H21N5O3/c1-35(2)25-13-14-27-26(19-25)28(16-17-31-27)34-29-15-10-23(20-32-29)30(36)33-24-11-8-22(9-12-24)18-21-6-4-3-5-7-21;1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-23-10-7-21(8-11-23)17-20-5-3-2-4-6-20;1-30-23-11-13-26-25(18-23)27(15-16-31-26)33-24-12-14-28(32-19-24)29(35)34-22-9-7-21(8-10-22)17-20-5-3-2-4-6-20;34-28(33-22-9-6-20(7-10-22)16-19-4-2-1-3-5-19)27-13-11-23(18-31-27)32-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;34-28(32-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19)27-12-10-22(18-30-27)31-26-14-15-29-25-13-11-23(33(35)36)17-24(25)26/h3-17,19-20H,18H2,1-2H3,(H,33,36)(H,31,32,34);2-16,18-19H,17H2,1H3,(H,31,33)(H,34,35);2-16,18-19H,17H2,(H,31,33)(H,34,35);1-15,17-18H,16H2,(H,30,32)(H,33,34)(H,35,36);1-15,17-18H,16H2,(H,29,31)(H,32,34).
What are the key properties of 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate?
4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate has a molecular weight of 2367.68 g/mol, XLogP of 31.09, 34 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide;N-(4-benzylphenyl)-5-[(6-isocyanoquinolin-4-yl)amino]pyridine-2-carboxamide;N-(4-benzylphenyl)-5-[(6-nitroquinolin-4-yl)amino]pyridine-2-carboxamide;methyl 4-[[6-[(4-benzylphenyl)carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 160643729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).