7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one

C20H18ClNO2 — CID 54711237

IUPAC7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1cc2c(O)c(-c3cc(C)cc(C)c3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C20H18ClNO2/c1-4-5-13-9-15-17(10-16(13)21)22-20(24)18(19(15)23)14-7-11(2)6-12(3)8-14/h4,6-10H,1,5H2,2-3H3,(H2,22,23,24)
InChIKeyRNYHOENOMDWHCF-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.90
Rot. Bonds3

About 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one

7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one (PubChem CID 54711237) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one
PubChem CID54711237
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one
SMILESC=CCc1cc2c(O)c(-c3cc(C)cc(C)c3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C20H18ClNO2/c1-4-5-13-9-15-17(10-16(13)21)22-20(24)18(19(15)23)14-7-11(2)6-12(3)8-14/h4,6-10H,1,5H2,2-3H3,(H2,22,23,24)
InChIKeyRNYHOENOMDWHCF-UHFFFAOYSA-N
XLogP4.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one (CID 54711237) is 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one is C=CCc1cc2c(O)c(-c3cc(C)cc(C)c3)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one?
The InChIKey is RNYHOENOMDWHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-4-5-13-9-15-17(10-16(13)21)22-20(24)18(19(15)23)14-7-11(2)6-12(3)8-14/h4,6-10H,1,5H2,2-3H3,(H2,22,23,24).
What are the key properties of 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one?
7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one has a molecular weight of 339.82 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethylphenyl)-4-hydroxy-6-prop-2-enyl-1H-quinolin-2-one is sourced from PubChem (CID 54711237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).