3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C28H25N5O — CID 137437989

IUPAC3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(c2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1
InChIInChI=1S/C28H25N5O/c1-32-12-14-33(15-13-32)25-18-30-28-23(27(25)34)17-22(26(31-28)19-6-3-2-4-7-19)20-9-10-24-21(16-20)8-5-11-29-24/h2-11,16-18H,12-15H2,1H3,(H,30,31,34)
InChIKeyPCCVDENGZGWUFO-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.56
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137437989) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137437989
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESCN1CCN(c2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1
InChIInChI=1S/C28H25N5O/c1-32-12-14-33(15-13-32)25-18-30-28-23(27(25)34)17-22(26(31-28)19-6-3-2-4-7-19)20-9-10-24-21(16-20)8-5-11-29-24/h2-11,16-18H,12-15H2,1H3,(H,30,31,34)
InChIKeyPCCVDENGZGWUFO-UHFFFAOYSA-N
XLogP4.56
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-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-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137437989) is 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is CN1CCN(c2c[nH]c3nc(-c4ccccc4)c(-c4ccc5ncccc5c4)cc3c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is PCCVDENGZGWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-32-12-14-33(15-13-32)25-18-30-28-23(27(25)34)17-22(26(31-28)19-6-3-2-4-7-19)20-9-10-24-21(16-20)8-5-11-29-24/h2-11,16-18H,12-15H2,1H3,(H,30,31,34).
What are the key properties of 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 447.54 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137437989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).