4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one

C18H18N2O4 — CID 167037612

IUPAC4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)c(C)c(O)c3ncc(OC)cc32)cc1
InChIInChI=1S/C18H18N2O4/c1-11-17(21)16-15(8-14(24-3)9-19-16)20(18(11)22)10-12-4-6-13(23-2)7-5-12/h4-9,21H,10H2,1-3H3
InChIKeyWEFOQFXACBVXAE-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.48
Rot. Bonds4

About 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one

4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one (PubChem CID 167037612) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
PubChem CID167037612
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)c(C)c(O)c3ncc(OC)cc32)cc1
InChIInChI=1S/C18H18N2O4/c1-11-17(21)16-15(8-14(24-3)9-19-16)20(18(11)22)10-12-4-6-13(23-2)7-5-12/h4-9,21H,10H2,1-3H3
InChIKeyWEFOQFXACBVXAE-UHFFFAOYSA-N
XLogP2.48
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one (CID 167037612) is 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one is COc1ccc(Cn2c(=O)c(C)c(O)c3ncc(OC)cc32)cc1.
What is the InChIKey of 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one?
The InChIKey is WEFOQFXACBVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-17(21)16-15(8-14(24-3)9-19-16)20(18(11)22)10-12-4-6-13(23-2)7-5-12/h4-9,21H,10H2,1-3H3.
What are the key properties of 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one?
4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one has a molecular weight of 326.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 167037612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).