6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one

C22H23N3O3 — CID 20946748

IUPAC6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one
SMILESCOc1ccc(Cn2ccc3nc(C)c(C(=O)N4CCCC4)cc3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-15-18(21(26)24-10-3-4-11-24)13-19-20(23-15)9-12-25(22(19)27)14-16-5-7-17(28-2)8-6-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyQYSBOLAAXXZYGK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.00
Rot. Bonds4

About 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one

6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one (PubChem CID 20946748) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one
PubChem CID20946748
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one
SMILESCOc1ccc(Cn2ccc3nc(C)c(C(=O)N4CCCC4)cc3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-15-18(21(26)24-10-3-4-11-24)13-19-20(23-15)9-12-25(22(19)27)14-16-5-7-17(28-2)8-6-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3
InChIKeyQYSBOLAAXXZYGK-UHFFFAOYSA-N
XLogP3.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339843
2-methyl-3-(4-methylpiperidine-1-carbonyl)-6-(pyridin-3-ylmethyl)-1,6-naphthyridin-5-one
CID 20946776
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
CID 46339897
methyl 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 66501613
2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid
CID 46253557
8-[(4-methoxyphenyl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865025
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890886
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
2-(4-chlorophenyl)-1-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-yl]ethanone
CID 78902446
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one (CID 20946748) is 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one is COc1ccc(Cn2ccc3nc(C)c(C(=O)N4CCCC4)cc3c2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one?
The InChIKey is QYSBOLAAXXZYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-18(21(26)24-10-3-4-11-24)13-19-20(23-15)9-12-25(22(19)27)14-16-5-7-17(28-2)8-6-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one?
6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one has a molecular weight of 377.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-2-methyl-3-(pyrrolidine-1-carbonyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 20946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).