N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide

C32H33ClF3N5O3 — CID 24954169

About N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide

N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide (PubChem CID 24954169) has the molecular formula C32H33ClF3N5O3 and a molecular weight of 628.10 g/mol. Its IUPAC name is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide
• PubChem CID: 24954169
• Molecular Formula: C32H33ClF3N5O3
• Molecular Weight: 628.10 g/mol
• Exact Mass: 627.22
• IUPAC Name: N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1-c1cc2cnc(CCCN)cc2n(CCN2CCOCC2)c1=O
• InChI: InChI=1S/C32H33ClF3N5O3/c1-20-4-6-24(39-30(42)21-5-7-28(33)27(16-21)32(34,35)36)17-25(20)26-15-22-19-38-23(3-2-8-37)18-29(22)41(31(26)43)10-9-40-11-13-44-14-12-40/h4-7,15-19H,2-3,8-14,37H2,1H3,(H,39,42)
• InChIKey: QSSVTJUOWCTCMX-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 102.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.10
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide (CID 24954169) is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1-c1cc2cnc(CCCN)cc2n(CCN2CCOCC2)c1=O.

What is the InChIKey of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide?

The InChIKey is QSSVTJUOWCTCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClF3N5O3/c1-20-4-6-24(39-30(42)21-5-7-28(33)27(16-21)32(34,35)36)17-25(20)26-15-22-19-38-23(3-2-8-37)18-29(22)41(31(26)43)10-9-40-11-13-44-14-12-40/h4-7,15-19H,2-3,8-14,37H2,1H3,(H,39,42).

What are the key properties of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide?

N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 628.10 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-4-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24954169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).