7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline

C18H13Cl2NO — CID 575262

IUPAC7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline
SMILESCc1cc2c(C3CO3)cc(-c3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C18H13Cl2NO/c1-10-6-13-14(18-9-22-18)7-16(21-17(13)8-15(10)20)11-2-4-12(19)5-3-11/h2-8,18H,9H2,1H3
InChIKeySRGRNICXJJCAEE-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.59
Rot. Bonds2

About 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline

7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline (PubChem CID 575262) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline.

Molecular Properties

Compound Name7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline
PubChem CID575262
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline
SMILESCc1cc2c(C3CO3)cc(-c3ccc(Cl)cc3)nc2cc1Cl
InChIInChI=1S/C18H13Cl2NO/c1-10-6-13-14(18-9-22-18)7-16(21-17(13)8-15(10)20)11-2-4-12(19)5-3-11/h2-8,18H,9H2,1H3
InChIKeySRGRNICXJJCAEE-UHFFFAOYSA-N
XLogP5.59
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
4-(7-chloro-4,6-dimethylquinolin-2-yl)benzamide
CID 171386122
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
6-chloro-7-methyl-2-phenylquinoxaline
CID 102434799
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
7-chloro-2-cyclopropyl-6-methylquinolin-4-amine
CID 104722096
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
6-chloro-3-iodo-5-methyl-2H-indazole
CID 74888467
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474
2-chloro-4-[4-(4-chlorophenoxy)phenyl]-6-methylpyrimidine
CID 71493533
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline?
The IUPAC name of 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline (CID 575262) is 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline.
What is the SMILES notation for 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline?
The canonical SMILES for 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline is Cc1cc2c(C3CO3)cc(-c3ccc(Cl)cc3)nc2cc1Cl.
What is the InChIKey of 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline?
The InChIKey is SRGRNICXJJCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c1-10-6-13-14(18-9-22-18)7-16(21-17(13)8-15(10)20)11-2-4-12(19)5-3-11/h2-8,18H,9H2,1H3.
What are the key properties of 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline?
7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline has a molecular weight of 330.21 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-chlorophenyl)-6-methyl-4-(oxiran-2-yl)quinoline is sourced from PubChem (CID 575262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).