6-bromo-2-(3-methoxyphenyl)quinoline

C16H12BrNO — CID 53443478

IUPAC6-bromo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2ccc3cc(Br)ccc3n2)c1
InChIInChI=1S/C16H12BrNO/c1-19-14-4-2-3-11(10-14)15-7-5-12-9-13(17)6-8-16(12)18-15/h2-10H,1H3
InChIKeyXPDSEFASNPITDH-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.67
Rot. Bonds2

About 6-bromo-2-(3-methoxyphenyl)quinoline

6-bromo-2-(3-methoxyphenyl)quinoline (PubChem CID 53443478) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxyphenyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-(3-methoxyphenyl)quinoline
PubChem CID53443478
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name6-bromo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2ccc3cc(Br)ccc3n2)c1
InChIInChI=1S/C16H12BrNO/c1-19-14-4-2-3-11(10-14)15-7-5-12-9-13(17)6-8-16(12)18-15/h2-10H,1H3
InChIKeyXPDSEFASNPITDH-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-6,7-di(pyrrol-1-yl)quinoline
CID 59288728
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
2-(3,5-dimethylphenyl)-6-methoxyquinoline
CID 58871188
6-bromo-2-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3276685
3-bromo-2-(3-methoxyphenyl)quinoline
CID 71658570
2-(3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 10538832
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline?
The IUPAC name of 6-bromo-2-(3-methoxyphenyl)quinoline (CID 53443478) is 6-bromo-2-(3-methoxyphenyl)quinoline.
What is the SMILES notation for 6-bromo-2-(3-methoxyphenyl)quinoline?
The canonical SMILES for 6-bromo-2-(3-methoxyphenyl)quinoline is COc1cccc(-c2ccc3cc(Br)ccc3n2)c1.
What is the InChIKey of 6-bromo-2-(3-methoxyphenyl)quinoline?
The InChIKey is XPDSEFASNPITDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-19-14-4-2-3-11(10-14)15-7-5-12-9-13(17)6-8-16(12)18-15/h2-10H,1H3.
What are the key properties of 6-bromo-2-(3-methoxyphenyl)quinoline?
6-bromo-2-(3-methoxyphenyl)quinoline has a molecular weight of 314.18 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxyphenyl)quinoline is sourced from PubChem (CID 53443478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).