4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one

C17H14N2O2 — CID 54686095

IUPAC4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2
InChIKeyDHSUHPJUEBYIIS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.82
Rot. Bonds3

About 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one

4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one (PubChem CID 54686095) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
PubChem CID54686095
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
SMILESC=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2
InChIKeyDHSUHPJUEBYIIS-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54737812
3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54735431
4-[4-(2,4-dichlorophenoxy)but-2-ynoxy]-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one
CID 11691684
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
4-hydroxy-1-phenyl-3-piperidin-1-ium-1-yl-1,8-naphthyridin-2-one hydroxide
CID 54706816
5-phenyl-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
CID 19436949
4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one
CID 54706815
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015
4-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenyl-1,8-naphthyridin-2-one;hydrate
CID 173365890
4-hydroxy-1-phenyl-3-(7-phenylheptanoyl)-1,8-naphthyridin-2-one
CID 68947735
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one (CID 54686095) is 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one is C=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
The InChIKey is DHSUHPJUEBYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-7-14-15(20)13-10-6-11-18-16(13)19(17(14)21)12-8-4-3-5-9-12/h2-6,8-11,20H,1,7H2.
What are the key properties of 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one?
4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-3-prop-2-enyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54686095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).