3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one

C25H32ClN5O3 — CID 22124832

IUPAC3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3n(C)c2=O)c1
InChIInChI=1S/C25H32ClN5O3/c1-29-8-10-31(11-9-29)7-5-6-27-23-15-21-17(16-28-23)12-20(25(32)30(21)2)19-13-18(33-3)14-22(34-4)24(19)26/h12-16H,5-11H2,1-4H3,(H,27,28)
InChIKeyLDVOLUCUGJDNRJ-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.32
Rot. Bonds8

About 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one

3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one (PubChem CID 22124832) has the molecular formula C25H32ClN5O3 and a molecular weight of 486.02 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
PubChem CID22124832
Molecular FormulaC25H32ClN5O3
Molecular Weight486.02 g/mol
Exact Mass485.22
IUPAC Name3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3n(C)c2=O)c1
InChIInChI=1S/C25H32ClN5O3/c1-29-8-10-31(11-9-29)7-5-6-27-23-15-21-17(16-28-23)12-20(25(32)30(21)2)19-13-18(33-3)14-22(34-4)24(19)26/h12-16H,5-11H2,1-4H3,(H,27,28)
InChIKeyLDVOLUCUGJDNRJ-UHFFFAOYSA-N
XLogP3.32
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one 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 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one (CID 22124832) is 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one is COc1cc(OC)c(Cl)c(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3n(C)c2=O)c1.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
The InChIKey is LDVOLUCUGJDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O3/c1-29-8-10-31(11-9-29)7-5-6-27-23-15-21-17(16-28-23)12-20(25(32)30(21)2)19-13-18(33-3)14-22(34-4)24(19)26/h12-16H,5-11H2,1-4H3,(H,27,28).
What are the key properties of 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one?
3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one has a molecular weight of 486.02 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxyphenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).