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

C141H110N28O11 — CID 159446740

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

6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid (PubChem CID 159446740) has the molecular formula C141H110N28O11 and a molecular weight of 2372.62 g/mol. Its IUPAC name is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid
• PubChem CID: 159446740
• Molecular Formula: C141H110N28O11
• Molecular Weight: 2372.62 g/mol
• Exact Mass: 2370.89
• IUPAC Name: 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid
• SMILES: CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1
• InChI: InChI=1S/C29H26N6O.C29H23N5O3.C28H20N6O.C28H21N5O3.C27H20N6O3/c1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-22-6-8-25-24(17-22)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-21-4-2-19(3-5-21)16-20-10-13-30-14-11-20;34-27(33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19)26-8-6-22(17-31-26)32-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,31,33)(H,34,35);1-14,16-17H,15H2,(H,30,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,29,31)(H,32,34)
• InChIKey: LSVWGHIERAZFRD-UHFFFAOYSA-N
• XLogP: 28.07
• TPSA: 513.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2372.62
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

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'}

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid?

The IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid (CID 159446740) is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid.

What is the SMILES notation for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid?

The canonical SMILES for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.

What is the InChIKey of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid?

The InChIKey is LSVWGHIERAZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C29H23N5O3.C28H20N6O.C28H21N5O3.C27H20N6O3/c1-35(2)24-8-9-26-25(18-24)27(13-16-31-26)34-28-10-5-22(19-32-28)29(36)33-23-6-3-20(4-7-23)17-21-11-14-30-15-12-21;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-22-5-2-19(3-6-22)16-20-10-13-30-14-11-20;1-29-22-6-8-25-24(17-22)26(12-15-31-25)33-23-7-9-27(32-18-23)28(35)34-21-4-2-19(3-5-21)16-20-10-13-30-14-11-20;34-27(33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19)26-8-6-22(17-31-26)32-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25;34-27(32-20-3-1-18(2-4-20)15-19-9-12-28-13-10-19)26-7-5-21(17-30-26)31-25-11-14-29-24-8-6-22(33(35)36)16-23(24)25/h3-16,18-19H,17H2,1-2H3,(H,33,36)(H,31,32,34);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,35);2-15,17-18H,16H2,(H,31,33)(H,34,35);1-14,16-17H,15H2,(H,30,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,29,31)(H,32,34).

What are the key properties of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid?

6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid has a molecular weight of 2372.62 g/mol, XLogP of 28.07, 34 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;5-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;methyl 4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylate;5-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[[6-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-3-pyridinyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 159446740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).