1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one

C22H18N2O2 — CID 139602460

IUPAC1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
SMILESCOc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N2O2/c1-26-20-12-6-5-11-18(20)19-14-17-10-7-13-23-21(17)24(22(19)25)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyDAGSVTJVQXSAJR-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.12
Rot. Bonds4

About 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one

1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 139602460) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
PubChem CID139602460
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
SMILESCOc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H18N2O2/c1-26-20-12-6-5-11-18(20)19-14-17-10-7-13-23-21(17)24(22(19)25)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
InChIKeyDAGSVTJVQXSAJR-UHFFFAOYSA-N
XLogP4.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one (CID 139602460) is 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one is COc1ccccc1-c1cc2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is DAGSVTJVQXSAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-20-12-6-5-11-18(20)19-14-17-10-7-13-23-21(17)24(22(19)25)15-16-8-3-2-4-9-16/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one?
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139602460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).