3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one

C24H29Cl2N5O — CID 5328708

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C24H29Cl2N5O/c1-29-10-12-31(13-11-29)9-4-3-8-27-22-15-21-17(16-28-22)14-18(24(32)30(21)2)23-19(25)6-5-7-20(23)26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,28)
InChIKeyLXTVIIYXNZBKDS-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.35
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one (PubChem CID 5328708) has the molecular formula C24H29Cl2N5O and a molecular weight of 474.44 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one
PubChem CID5328708
Molecular FormulaC24H29Cl2N5O
Molecular Weight474.44 g/mol
Exact Mass473.17
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one
SMILESCN1CCN(CCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1
InChIInChI=1S/C24H29Cl2N5O/c1-29-10-12-31(13-11-29)9-4-3-8-27-22-15-21-17(16-28-22)14-18(24(32)30(21)2)23-19(25)6-5-7-20(23)26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,28)
InChIKeyLXTVIIYXNZBKDS-UHFFFAOYSA-N
XLogP4.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-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-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one (CID 5328708) is 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one is CN1CCN(CCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one?
The InChIKey is LXTVIIYXNZBKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O/c1-29-10-12-31(13-11-29)9-4-3-8-27-22-15-21-17(16-28-22)14-18(24(32)30(21)2)23-19(25)6-5-7-20(23)26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,28).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one has a molecular weight of 474.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methyl-7-[4-(4-methylpiperazin-1-yl)butylamino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).