2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one

C28H26N4O — CID 142225773

IUPAC2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1nc2c(cc1N(C)C1C=CC=CC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H26N4O/c1-20-25(31(2)22-14-8-4-9-15-22)18-24-26(33)19-27(30-21-12-6-3-7-13-21)32(28(24)29-20)23-16-10-5-11-17-23/h3-14,16-19,22,30H,15H2,1-2H3
InChIKeyYCYUQUZNPPNDIS-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.76
Rot. Bonds5

About 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 142225773) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID142225773
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1nc2c(cc1N(C)C1C=CC=CC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C28H26N4O/c1-20-25(31(2)22-14-8-4-9-15-22)18-24-26(33)19-27(30-21-12-6-3-7-13-21)32(28(24)29-20)23-16-10-5-11-17-23/h3-14,16-19,22,30H,15H2,1-2H3
InChIKeyYCYUQUZNPPNDIS-UHFFFAOYSA-N
XLogP5.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-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 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 142225773) is 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one is Cc1nc2c(cc1N(C)C1C=CC=CC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is YCYUQUZNPPNDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-20-25(31(2)22-14-8-4-9-15-22)18-24-26(33)19-27(30-21-12-6-3-7-13-21)32(28(24)29-20)23-16-10-5-11-17-23/h3-14,16-19,22,30H,15H2,1-2H3.
What are the key properties of 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 434.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-[cyclohexa-2,4-dien-1-yl(methyl)amino]-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 142225773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).