3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one

C16H14N2O2 — CID 174323192

IUPAC3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one
SMILESCc1cc2c(cn1)cc(-c1ccc(O)cc1)c(=O)n2C
InChIInChI=1S/C16H14N2O2/c1-10-7-15-12(9-17-10)8-14(16(20)18(15)2)11-3-5-13(19)6-4-11/h3-9,19H,1-2H3
InChIKeyKGPQNFWPWPLJHG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.61
Rot. Bonds1

About 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one

3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one (PubChem CID 174323192) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one
PubChem CID174323192
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one
SMILESCc1cc2c(cn1)cc(-c1ccc(O)cc1)c(=O)n2C
InChIInChI=1S/C16H14N2O2/c1-10-7-15-12(9-17-10)8-14(16(20)18(15)2)11-3-5-13(19)6-4-11/h3-9,19H,1-2H3
InChIKeyKGPQNFWPWPLJHG-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one (CID 174323192) is 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one is Cc1cc2c(cn1)cc(-c1ccc(O)cc1)c(=O)n2C.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one?
The InChIKey is KGPQNFWPWPLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-7-15-12(9-17-10)8-14(16(20)18(15)2)11-3-5-13(19)6-4-11/h3-9,19H,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one?
3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,7-dimethyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 174323192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).