3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline

C11H8BrCl2NO — CID 157046873

IUPAC3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(Br)c(Cl)c2cc1Cl
InChIInChI=1S/C11H8BrCl2NO/c1-5-10(12)11(14)6-3-7(13)9(16-2)4-8(6)15-5/h3-4H,1-2H3
InChIKeyGPCPUKDQSWVZHE-UHFFFAOYSA-N
MW321.00 g/mol
LogP4.62
Rot. Bonds1

About 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline

3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline (PubChem CID 157046873) has the molecular formula C11H8BrCl2NO and a molecular weight of 321.00 g/mol. Its IUPAC name is 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline.

Molecular Properties

Compound Name3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
PubChem CID157046873
Molecular FormulaC11H8BrCl2NO
Molecular Weight321.00 g/mol
Exact Mass318.92
IUPAC Name3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
SMILESCOc1cc2nc(C)c(Br)c(Cl)c2cc1Cl
InChIInChI=1S/C11H8BrCl2NO/c1-5-10(12)11(14)6-3-7(13)9(16-2)4-8(6)15-5/h3-4H,1-2H3
InChIKeyGPCPUKDQSWVZHE-UHFFFAOYSA-N
XLogP4.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.00
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
4,6-dichloro-7-methoxy-2-methyl-3-[4-(2-methylphenyl)phenyl]quinoline
CID 170432136
8,10-dichloro-7-methoxy-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 107622850
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626
4,6-dichloro-7-methoxy-3-methyl-2-pyridin-2-ylquinoline
CID 59631212
3-chloro-6,7-dimethoxy-2-methylquinoline
CID 174844835
4-chloro-7-fluoro-6-methoxy-2,3-dimethylquinoline
CID 103996653
4,6-dichloro-7-methoxy-3-[4-[2-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-2-methylquinoline
CID 170432212
4,6-dichloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methylquinoline
CID 170432391
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline?
The IUPAC name of 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline (CID 157046873) is 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline.
What is the SMILES notation for 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline?
The canonical SMILES for 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline is COc1cc2nc(C)c(Br)c(Cl)c2cc1Cl.
What is the InChIKey of 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline?
The InChIKey is GPCPUKDQSWVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2NO/c1-5-10(12)11(14)6-3-7(13)9(16-2)4-8(6)15-5/h3-4H,1-2H3.
What are the key properties of 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline?
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline has a molecular weight of 321.00 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline is sourced from PubChem (CID 157046873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).