2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline

C18H12BrCl2NO — CID 146001018

IUPAC2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline
SMILESCOc1cc(Br)ccc1/C=C/c1cc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H12BrCl2NO/c1-23-18-8-12(19)4-2-11(18)3-6-14-10-16(21)15-9-13(20)5-7-17(15)22-14/h2-10H,1H3/b6-3+
InChIKeySBJXKWUTHZCZEE-ZZXKWVIFSA-N
MW409.11 g/mol
LogP6.48
Rot. Bonds3

About 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline

2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline (PubChem CID 146001018) has the molecular formula C18H12BrCl2NO and a molecular weight of 409.11 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline
PubChem CID146001018
Molecular FormulaC18H12BrCl2NO
Molecular Weight409.11 g/mol
Exact Mass406.95
IUPAC Name2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline
SMILESCOc1cc(Br)ccc1/C=C/c1cc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H12BrCl2NO/c1-23-18-8-12(19)4-2-11(18)3-6-14-10-16(21)15-9-13(20)5-7-17(15)22-14/h2-10H,1H3/b6-3+
InChIKeySBJXKWUTHZCZEE-ZZXKWVIFSA-N
XLogP6.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.11
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-[(E)-2-phenylethenyl]quinoline
CID 146000729
6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16777739
7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
CID 18230825
6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 57361735
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-5-methyl-1,3,4-oxadiazole
CID 89105623
4-bromo-2-methoxythiobenzaldehyde
CID 22622289
6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
CID 81288093
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
6-bromo-4-chloroquinolin-2-amine
CID 154853425
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
CID 125496720
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline?
The IUPAC name of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline (CID 146001018) is 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline.
What is the SMILES notation for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline?
The canonical SMILES for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline is COc1cc(Br)ccc1/C=C/c1cc(Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline?
The InChIKey is SBJXKWUTHZCZEE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H12BrCl2NO/c1-23-18-8-12(19)4-2-11(18)3-6-14-10-16(21)15-9-13(20)5-7-17(15)22-14/h2-10H,1H3/b6-3+.
What are the key properties of 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline?
2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline has a molecular weight of 409.11 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromo-2-methoxyphenyl)ethenyl]-4,6-dichloroquinoline is sourced from PubChem (CID 146001018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).