3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

C24H20N2O3 — CID 50759361

IUPAC3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H20N2O3/c1-16-11-12-20-23(28)21(22(27)18-8-4-3-5-9-18)15-26(24(20)25-16)14-17-7-6-10-19(13-17)29-2/h3-13,15H,14H2,1-2H3
InChIKeyFLJROGJVKOBMRD-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.99
Rot. Bonds5

About 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759361) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759361
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H20N2O3/c1-16-11-12-20-23(28)21(22(27)18-8-4-3-5-9-18)15-26(24(20)25-16)14-17-7-6-10-19(13-17)29-2/h3-13,15H,14H2,1-2H3
InChIKeyFLJROGJVKOBMRD-UHFFFAOYSA-N
XLogP3.99
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
3-benzoyl-7-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-4-one
CID 50759395
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
1-[(3-fluorophenyl)methyl]-3-(2-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759408
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20929743
2-[3-(4-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20929617
1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759431
N-(4-ethoxyphenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929751
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
CID 20950265
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
N-(2,4-difluorophenyl)-2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929759

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (CID 50759361) is 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is FLJROGJVKOBMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16-11-12-20-23(28)21(22(27)18-8-4-3-5-9-18)15-26(24(20)25-16)14-17-7-6-10-19(13-17)29-2/h3-13,15H,14H2,1-2H3.
What are the key properties of 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 384.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).