3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one

C25H20N4O — CID 90468576

IUPAC3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXUUZXMIOASYZMX-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.85
Rot. Bonds4

About 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one

3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one (PubChem CID 90468576) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
PubChem CID90468576
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28)
InChIKeyXUUZXMIOASYZMX-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-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-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one (CID 90468576) is 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one is Cc1cc2ccnc(NCc3ccnc4ccccc34)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
The InChIKey is XUUZXMIOASYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-15-18-11-14-27-24(23(18)25(30)29(17)20-7-3-2-4-8-20)28-16-19-12-13-26-22-10-6-5-9-21(19)22/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one?
3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one has a molecular weight of 392.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 90468576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).