2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one

C15H12ClNO2 — CID 110539671

IUPAC2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(O)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-11-7-9(5-6-14(11)18)13-8-15(19)10-3-1-2-4-12(10)17-13/h1-7,13,17-18H,8H2
InChIKeyPWVPXPDRHNVCDY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.79
Rot. Bonds1

About 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one

2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 110539671) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID110539671
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(c2ccc(O)c(Cl)c2)Nc2ccccc21
InChIInChI=1S/C15H12ClNO2/c16-11-7-9(5-6-14(11)18)13-8-15(19)10-3-1-2-4-12(10)17-13/h1-7,13,17-18H,8H2
InChIKeyPWVPXPDRHNVCDY-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
2-(3-chloro-4-phenylmethoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110534841
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
CID 110538830
CID 56964004
CID 56964004
2-(3-chloro-4-hydroxyphenyl)imidazolidin-4-one
CID 127013359
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
2-[2-ethoxy-4-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenoxy]-N,N-diethylacetamide
CID 110532677
2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
CID 139262353

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one (CID 110539671) is 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(c2ccc(O)c(Cl)c2)Nc2ccccc21.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is PWVPXPDRHNVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-11-7-9(5-6-14(11)18)13-8-15(19)10-3-1-2-4-12(10)17-13/h1-7,13,17-18H,8H2.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 273.72 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 110539671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).