N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide

C29H23ClN4O5 — CID 139033527

About N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide

N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide (PubChem CID 139033527) has the molecular formula C29H23ClN4O5 and a molecular weight of 542.98 g/mol. Its IUPAC name is N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
• PubChem CID: 139033527
• Molecular Formula: C29H23ClN4O5
• Molecular Weight: 542.98 g/mol
• Exact Mass: 542.14
• IUPAC Name: N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
• SMILES: O=C(NC(Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12)c1ccc2[nH]c(=O)cc(O)c2c1
• InChI: InChI=1S/C29H23ClN4O5/c30-19-7-9-22-20(13-19)18(12-26(36)32-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-28(38)17-6-8-23-21(11-17)25(35)14-27(37)33-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,32,36)(H,34,38)(H2,33,35,37)
• InChIKey: DNDMLXSODUEUMP-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 144.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.98
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide?

The IUPAC name of N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide (CID 139033527) is N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide.

What is the SMILES notation for N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide?

The canonical SMILES for N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCc1cc(=O)[nH]c2ccc(Cl)cc12)c1ccc2[nH]c(=O)cc(O)c2c1.

What is the InChIKey of N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide?

The InChIKey is DNDMLXSODUEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O5/c30-19-7-9-22-20(13-19)18(12-26(36)32-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-28(38)17-6-8-23-21(11-17)25(35)14-27(37)33-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,32,36)(H,34,38)(H2,33,35,37).

What are the key properties of N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide?

N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide has a molecular weight of 542.98 g/mol, XLogP of 3.39, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide is sourced from PubChem (CID 139033527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).