8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one

C17H15BrN2O3 — CID 162772120

IUPAC8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
SMILESCOc1ccc(Cn2cc(Br)c3ncccc3c2=O)c(OC)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-12-6-5-11(15(8-12)23-2)9-20-10-14(18)16-13(17(20)21)4-3-7-19-16/h3-8,10H,9H2,1-2H3
InChIKeyLOFCKSBCSQVXDP-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.22
Rot. Bonds4

About 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one

8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one (PubChem CID 162772120) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
PubChem CID162772120
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
SMILESCOc1ccc(Cn2cc(Br)c3ncccc3c2=O)c(OC)c1
InChIInChI=1S/C17H15BrN2O3/c1-22-12-6-5-11(15(8-12)23-2)9-20-10-14(18)16-13(17(20)21)4-3-7-19-16/h3-8,10H,9H2,1-2H3
InChIKeyLOFCKSBCSQVXDP-UHFFFAOYSA-N
XLogP3.22
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-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

5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987068
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414492
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
4-[(4-aminophenyl)methyl]-2-[(2,4-dimethoxyphenyl)methyl]-7-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[1,2-a]pyrazin-1-one
CID 67441940
3-[(2-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 10825717
2-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)-7-phenylisoquinolin-1-one
CID 167498310
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160
7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
4-N-(3-bromo-2-methoxyphenyl)-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 178019484
3-[2-(2,4-dimethoxyphenyl)acetyl]-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54676206
2-[(2,4-dimethoxyphenyl)methyl]-7-pyridin-4-ylpyrrolo[1,2-a]pyrazin-1-one
CID 154462544

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one?
The IUPAC name of 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one (CID 162772120) is 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one is COc1ccc(Cn2cc(Br)c3ncccc3c2=O)c(OC)c1.
What is the InChIKey of 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one?
The InChIKey is LOFCKSBCSQVXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-22-12-6-5-11(15(8-12)23-2)9-20-10-14(18)16-13(17(20)21)4-3-7-19-16/h3-8,10H,9H2,1-2H3.
What are the key properties of 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one?
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one has a molecular weight of 375.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 162772120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).