8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one

C18H12ClNO2 — CID 71172830

IUPAC8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one
SMILESCC#Cc1cc(Cl)c2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
InChIInChI=1S/C18H12ClNO2/c1-2-6-11-9-13-16(14(19)10-11)20-18(22)15(17(13)21)12-7-4-3-5-8-12/h3-5,7-10H,1H3,(H2,20,21,22)
InChIKeyPRJYAJAMOQYJGY-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.93
Rot. Bonds1

About 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one

8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one (PubChem CID 71172830) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one
PubChem CID71172830
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one
SMILESCC#Cc1cc(Cl)c2[nH]c(=O)c(-c3ccccc3)c(O)c2c1
InChIInChI=1S/C18H12ClNO2/c1-2-6-11-9-13-16(14(19)10-11)20-18(22)15(17(13)21)12-7-4-3-5-8-12/h3-5,7-10H,1H3,(H2,20,21,22)
InChIKeyPRJYAJAMOQYJGY-UHFFFAOYSA-N
XLogP3.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one?
The IUPAC name of 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one (CID 71172830) is 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one.
What is the SMILES notation for 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one?
The canonical SMILES for 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one is CC#Cc1cc(Cl)c2[nH]c(=O)c(-c3ccccc3)c(O)c2c1.
What is the InChIKey of 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one?
The InChIKey is PRJYAJAMOQYJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c1-2-6-11-9-13-16(14(19)10-11)20-18(22)15(17(13)21)12-7-4-3-5-8-12/h3-5,7-10H,1H3,(H2,20,21,22).
What are the key properties of 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one?
8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one has a molecular weight of 309.75 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-hydroxy-3-phenyl-6-prop-1-ynyl-1H-quinolin-2-one is sourced from PubChem (CID 71172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).