3-(4-bromophenyl)-4-chloro-6-methoxyquinoline

C16H11BrClNO — CID 141133851

IUPAC3-(4-bromophenyl)-4-chloro-6-methoxyquinoline
SMILESCOc1ccc2ncc(-c3ccc(Br)cc3)c(Cl)c2c1
InChIInChI=1S/C16H11BrClNO/c1-20-12-6-7-15-13(8-12)16(18)14(9-19-15)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyIRJFYBSNSHYHSK-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.33
Rot. Bonds2

About 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline

3-(4-bromophenyl)-4-chloro-6-methoxyquinoline (PubChem CID 141133851) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-chloro-6-methoxyquinoline
PubChem CID141133851
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name3-(4-bromophenyl)-4-chloro-6-methoxyquinoline
SMILESCOc1ccc2ncc(-c3ccc(Br)cc3)c(Cl)c2c1
InChIInChI=1S/C16H11BrClNO/c1-20-12-6-7-15-13(8-12)16(18)14(9-19-15)10-2-4-11(17)5-3-10/h2-9H,1H3
InChIKeyIRJFYBSNSHYHSK-UHFFFAOYSA-N
XLogP5.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methoxyquinoline
CID 14860
2-Chloro-6-methoxy-4-methylquinoline
CID 224788
6-Methoxy-4-methylquinoline
CID 258761
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
N-(6-{[1-(4-Bromophenyl)isoquinolin-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine
CID 447553
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
4-Chloro-6-methoxyquinoline
CID 228348
8-[(4-Bromophenyl)methoxy]quinoline
CID 902797
Quinoline, 6-(vinyloxy)-
CID 3042204
2-Chloro-6-methoxy-3-phenylquinoline
CID 5329279
4-Chloro-6-ethoxyquinoline
CID 17039882
6-Methoxy-4-methylquinoline hydrochloride
CID 24201109

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline?
The IUPAC name of 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline (CID 141133851) is 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline.
What is the SMILES notation for 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline?
The canonical SMILES for 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline is COc1ccc2ncc(-c3ccc(Br)cc3)c(Cl)c2c1.
What is the InChIKey of 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline?
The InChIKey is IRJFYBSNSHYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c1-20-12-6-7-15-13(8-12)16(18)14(9-19-15)10-2-4-11(17)5-3-10/h2-9H,1H3.
What are the key properties of 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline?
3-(4-bromophenyl)-4-chloro-6-methoxyquinoline has a molecular weight of 348.63 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-chloro-6-methoxyquinoline is sourced from PubChem (CID 141133851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).