N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C27H21ClN4O3 — CID 157465096

About N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 157465096) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 157465096
• Molecular Formula: C27H21ClN4O3
• Molecular Weight: 484.94 g/mol
• Exact Mass: 484.13
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(Cc1ccc2c(c1)CC=N2)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21
• InChI: InChI=1S/C27H21ClN4O3/c28-21-6-3-17(4-7-21)15-31-26(34)23-14-20-2-1-10-30-25(20)32(27(23)35)16-22(33)13-18-5-8-24-19(12-18)9-11-29-24/h1-8,10-12,14H,9,13,15-16H2,(H,31,34)
• InChIKey: MGEBDRMHGJSHCQ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 93.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.94
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 157465096) is N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Cc1ccc2c(c1)CC=N2)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cccnc21.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is MGEBDRMHGJSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c28-21-6-3-17(4-7-21)15-31-26(34)23-14-20-2-1-10-30-25(20)32(27(23)35)16-22(33)13-18-5-8-24-19(12-18)9-11-29-24/h1-8,10-12,14H,9,13,15-16H2,(H,31,34).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[3-(3H-indol-5-yl)-2-oxopropyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 157465096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).