1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one

C17H15ClN2O2 — CID 150602716

IUPAC1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
SMILESCC(O)Cc1cc2cccnc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(21)9-13-10-12-3-2-8-19-16(12)20(17(13)22)15-6-4-14(18)5-7-15/h2-8,10-11,21H,9H2,1H3
InChIKeyISFHRJBPDITSLO-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one

1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one (PubChem CID 150602716) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
PubChem CID150602716
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
SMILESCC(O)Cc1cc2cccnc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(21)9-13-10-12-3-2-8-19-16(12)20(17(13)22)15-6-4-14(18)5-7-15/h2-8,10-11,21H,9H2,1H3
InChIKeyISFHRJBPDITSLO-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-4-hydroxy-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one
CID 54717823
1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
CID 18002648
4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565456
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
CID 139622440
(2S)-2-amino-3-[4-[2-(2-methylpropyl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]propanoic acid
CID 69213987
3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 172797169
1-pyridin-3-yl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
CID 10132162
3-[1-(3,5-dichlorophenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-hydroxy-2-pyridin-3-ylpropanenitrile
CID 15230458
1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-ol
CID 117223855
1-(4-hydroxyphenyl)-3-(2-pyridin-3-ylprop-1-enyl)-1,8-naphthyridin-2-one
CID 57147031

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one (CID 150602716) is 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one is CC(O)Cc1cc2cccnc2n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
The InChIKey is ISFHRJBPDITSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(21)9-13-10-12-3-2-8-19-16(12)20(17(13)22)15-6-4-14(18)5-7-15/h2-8,10-11,21H,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one?
1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one has a molecular weight of 314.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-hydroxypropyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 150602716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).