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

C16H12BrNO — CID 71658570

IUPAC3-bromo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2nc3ccccc3cc2Br)c1
InChIInChI=1S/C16H12BrNO/c1-19-13-7-4-6-12(9-13)16-14(17)10-11-5-2-3-8-15(11)18-16/h2-10H,1H3
InChIKeyIYDJHVBDZIJMRH-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.67
Rot. Bonds2

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

3-bromo-2-(3-methoxyphenyl)quinoline (PubChem CID 71658570) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-bromo-2-(3-methoxyphenyl)quinoline.

Molecular Properties

Compound Name3-bromo-2-(3-methoxyphenyl)quinoline
PubChem CID71658570
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name3-bromo-2-(3-methoxyphenyl)quinoline
SMILESCOc1cccc(-c2nc3ccccc3cc2Br)c1
InChIInChI=1S/C16H12BrNO/c1-19-13-7-4-6-12(9-13)16-14(17)10-11-5-2-3-8-15(11)18-16/h2-10H,1H3
InChIKeyIYDJHVBDZIJMRH-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

2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-ethenyl-3-(3-methoxyphenyl)quinoline
CID 68639681
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
3,4-bis(3-methoxyphenyl)isoquinoline
CID 177415076
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-bromo-5-(3-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 84712036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-methoxyphenyl)quinoline?
The IUPAC name of 3-bromo-2-(3-methoxyphenyl)quinoline (CID 71658570) is 3-bromo-2-(3-methoxyphenyl)quinoline.
What is the SMILES notation for 3-bromo-2-(3-methoxyphenyl)quinoline?
The canonical SMILES for 3-bromo-2-(3-methoxyphenyl)quinoline is COc1cccc(-c2nc3ccccc3cc2Br)c1.
What is the InChIKey of 3-bromo-2-(3-methoxyphenyl)quinoline?
The InChIKey is IYDJHVBDZIJMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-19-13-7-4-6-12(9-13)16-14(17)10-11-5-2-3-8-15(11)18-16/h2-10H,1H3.
What are the key properties of 3-bromo-2-(3-methoxyphenyl)quinoline?
3-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 3-bromo-2-(3-methoxyphenyl)quinoline is sourced from PubChem (CID 71658570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).