3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

C23H25N3O2 — CID 7620362

IUPAC3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CCCCCC3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O2/c1-17-8-10-18(11-9-17)16-26-21-19(7-6-12-24-21)15-20(23(26)28)22(27)25-13-4-2-3-5-14-25/h6-12,15H,2-5,13-14,16H2,1H3
InChIKeyMLFIPYXYMCOVGJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.77
Rot. Bonds3

About 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 7620362) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID7620362
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CCCCCC3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O2/c1-17-8-10-18(11-9-17)16-26-21-19(7-6-12-24-21)15-20(23(26)28)22(27)25-13-4-2-3-5-14-25/h6-12,15H,2-5,13-14,16H2,1H3
InChIKeyMLFIPYXYMCOVGJ-UHFFFAOYSA-N
XLogP3.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620392
methyl 1-[1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 7620374
3-(4-benzhydrylpiperazine-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995937
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995935
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
1-[(4-chlorophenyl)methyl]-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1,8-naphthyridin-2-one
CID 7621132
methyl 1-[1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996244
N-cyclohexyl-N-ethyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620356
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (CID 7620362) is 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is Cc1ccc(Cn2c(=O)c(C(=O)N3CCCCCC3)cc3cccnc32)cc1.
What is the InChIKey of 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is MLFIPYXYMCOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-8-10-18(11-9-17)16-26-21-19(7-6-12-24-21)15-20(23(26)28)22(27)25-13-4-2-3-5-14-25/h6-12,15H,2-5,13-14,16H2,1H3.
What are the key properties of 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).