3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

C23H25N3O3 — CID 43995935

IUPAC3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CC(C)OC(C)C3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O3/c1-15-6-8-18(9-7-15)14-26-21-19(5-4-10-24-21)11-20(23(26)28)22(27)25-12-16(2)29-17(3)13-25/h4-11,16-17H,12-14H2,1-3H3
InChIKeyHHJAIXFXYIJCTO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.00
Rot. Bonds3

About 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one

3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (PubChem CID 43995935) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
PubChem CID43995935
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
SMILESCc1ccc(Cn2c(=O)c(C(=O)N3CC(C)OC(C)C3)cc3cccnc32)cc1
InChIInChI=1S/C23H25N3O3/c1-15-6-8-18(9-7-15)14-26-21-19(5-4-10-24-21)11-20(23(26)28)22(27)25-12-16(2)29-17(3)13-25/h4-11,16-17H,12-14H2,1-3H3
InChIKeyHHJAIXFXYIJCTO-UHFFFAOYSA-N
XLogP3.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylphenyl)methyl]-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620369
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
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-methyl-2,3-dihydroindole-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995972
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 43995973
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one (CID 43995935) is 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is Cc1ccc(Cn2c(=O)c(C(=O)N3CC(C)OC(C)C3)cc3cccnc32)cc1.
What is the InChIKey of 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
The InChIKey is HHJAIXFXYIJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-6-8-18(9-7-15)14-26-21-19(5-4-10-24-21)11-20(23(26)28)22(27)25-12-16(2)29-17(3)13-25/h4-11,16-17H,12-14H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one?
3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholine-4-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 43995935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).