6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one

C20H17Cl2NO2 — CID 51031199

IUPAC6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)c(CCO)c(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C20H17Cl2NO2/c1-2-10-23-18-8-7-13(21)12-16(18)19(15(9-11-24)20(23)25)14-5-3-4-6-17(14)22/h2-8,12,24H,1,9-11H2
InChIKeyQCSMJMOOUGAWSI-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.70
Rot. Bonds5

About 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one

6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one (PubChem CID 51031199) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one
PubChem CID51031199
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)c(CCO)c(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C20H17Cl2NO2/c1-2-10-23-18-8-7-13(21)12-16(18)19(15(9-11-24)20(23)25)14-5-3-4-6-17(14)22/h2-8,12,24H,1,9-11H2
InChIKeyQCSMJMOOUGAWSI-UHFFFAOYSA-N
XLogP4.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
CID 921795
3-acetyl-6-chloro-1-methyl-4-phenylquinolin-2(1H)-one
CID 1094283
6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one
CID 12591900
6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 24863612
6-chloro-4-(2-fluorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 25071681
2-(6-Chloro-2-oxo-4-phenyl-1-propyl-1,2-dihydroquinolin-3-yl)pentanoic acid
CID 45115572
6-Chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-methylquinolin-2-one
CID 51031198
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic acid
CID 51031203
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl acetate
CID 51031352
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl propanoate
CID 51031353
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl 2-methylpropanoate
CID 51031354
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]ethyl butanoate
CID 51031355

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one (CID 51031199) is 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one is C=CCn1c(=O)c(CCO)c(-c2ccccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one?
The InChIKey is QCSMJMOOUGAWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-2-10-23-18-8-7-13(21)12-16(18)19(15(9-11-24)20(23)25)14-5-3-4-6-17(14)22/h2-8,12,24H,1,9-11H2.
What are the key properties of 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one?
6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one has a molecular weight of 374.27 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one is sourced from PubChem (CID 51031199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).