2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one

C28H23N3O3 — CID 20790696

IUPAC2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1
InChIInChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3
InChIKeyIKQHMTDFUFPFGQ-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.72
Rot. Bonds7

About 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790696) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790696
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
SMILESCOc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1
InChIInChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3
InChIKeyIKQHMTDFUFPFGQ-UHFFFAOYSA-N
XLogP5.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-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

Related Compounds

2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
2-anilino-1-(3-methoxyphenyl)-1,7-naphthyridin-4-one
CID 58589526
2-anilino-8-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one
CID 20790921
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
6-anilino-2-methoxy-7-phenylthieno[2,3-b]pyridin-4-one
CID 143009072
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10226621
2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
CID 20790675
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
CID 142224853
2,8-dianilino-1-phenyl-1,6-naphthyridin-4-one
CID 20790469
2-anilino-6-fluoro-1-phenyl-1,8-naphthyridin-4-one;ethyl formate
CID 174461645
N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
CID 143113448
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one (CID 20790696) is 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one is COc1ccc(OCc2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)cc1.
What is the InChIKey of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is IKQHMTDFUFPFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-33-23-12-14-24(15-13-23)34-19-21-16-26-25(18-29-21)27(32)17-28(30-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-18,30H,19H2,1H3.
What are the key properties of 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 449.51 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).