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

C31H31ClF3N5O3 — CID 59212514

IUPACN-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide
SMILESNCCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1Cl)c(=O)n2CCN1CCOCC1
InChIInChI=1S/C31H31ClF3N5O3/c32-27-7-6-24(38-29(41)20-3-1-4-22(15-20)31(33,34)35)17-25(27)26-16-21-19-37-23(5-2-8-36)18-28(21)40(30(26)42)10-9-39-11-13-43-14-12-39/h1,3-4,6-7,15-19H,2,5,8-14,36H2,(H,38,41)
InChIKeyJFVNVLKDZOVFQY-UHFFFAOYSA-N
MW614.07 g/mol
LogP5.21
Rot. Bonds9

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

N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide (PubChem CID 59212514) has the molecular formula C31H31ClF3N5O3 and a molecular weight of 614.07 g/mol. Its IUPAC name is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide
PubChem CID59212514
Molecular FormulaC31H31ClF3N5O3
Molecular Weight614.07 g/mol
Exact Mass613.21
IUPAC NameN-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide
SMILESNCCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1Cl)c(=O)n2CCN1CCOCC1
InChIInChI=1S/C31H31ClF3N5O3/c32-27-7-6-24(38-29(41)20-3-1-4-22(15-20)31(33,34)35)17-25(27)26-16-21-19-37-23(5-2-8-36)18-28(21)40(30(26)42)10-9-39-11-13-43-14-12-39/h1,3-4,6-7,15-19H,2,5,8-14,36H2,(H,38,41)
InChIKeyJFVNVLKDZOVFQY-UHFFFAOYSA-N
XLogP5.21
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.07
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-chlorophenyl]-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-chlorophenyl]-3-(trifluoromethyl)benzamide (CID 59212514) is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-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-chlorophenyl]-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-chlorophenyl]-3-(trifluoromethyl)benzamide is NCCCc1cc2c(cn1)cc(-c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1Cl)c(=O)n2CCN1CCOCC1.
What is the InChIKey of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JFVNVLKDZOVFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClF3N5O3/c32-27-7-6-24(38-29(41)20-3-1-4-22(15-20)31(33,34)35)17-25(27)26-16-21-19-37-23(5-2-8-36)18-28(21)40(30(26)42)10-9-39-11-13-43-14-12-39/h1,3-4,6-7,15-19H,2,5,8-14,36H2,(H,38,41).
What are the key properties of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide?
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-chlorophenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 614.07 g/mol, XLogP of 5.21, 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-chlorophenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59212514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).