7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline

C19H15Cl2NO2 — CID 18230825

IUPAC7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)cc(Cl)c1OC
InChIInChI=1S/C19H15Cl2NO2/c1-23-18-10-12(9-16(21)19(18)24-2)3-7-15-8-5-13-4-6-14(20)11-17(13)22-15/h3-11H,1-2H3/b7-3+
InChIKeyPCXSBEIPXAZQQF-XVNBXDOJSA-N
MW360.24 g/mol
LogP5.73
Rot. Bonds4

About 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline

7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline (PubChem CID 18230825) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
PubChem CID18230825
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)cc(Cl)c1OC
InChIInChI=1S/C19H15Cl2NO2/c1-23-18-10-12(9-16(21)19(18)24-2)3-7-15-8-5-13-4-6-14(20)11-17(13)22-15/h3-11H,1-2H3/b7-3+
InChIKeyPCXSBEIPXAZQQF-XVNBXDOJSA-N
XLogP5.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
CID 2949244
7-chloro-2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]quinoline
CID 18284055
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4820170
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
CID 87897267
3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine
CID 14963383
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
7-chloro-2-[(E)-2-[2-(difluoromethoxy)phenyl]ethenyl]quinoline
CID 18276488
3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enenitrile
CID 76913713
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline (CID 18230825) is 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline is COc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)cc(Cl)c1OC.
What is the InChIKey of 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline?
The InChIKey is PCXSBEIPXAZQQF-XVNBXDOJSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-23-18-10-12(9-16(21)19(18)24-2)3-7-15-8-5-13-4-6-14(20)11-17(13)22-15/h3-11H,1-2H3/b7-3+.
What are the key properties of 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline?
7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline has a molecular weight of 360.24 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 18230825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).