3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline

C11H8Br2ClNO — CID 121237017

IUPAC3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
SMILESCOc1cc(Cl)cc2c(Br)c(Br)c(C)nc12
InChIInChI=1S/C11H8Br2ClNO/c1-5-9(12)10(13)7-3-6(14)4-8(16-2)11(7)15-5/h3-4H,1-2H3
InChIKeyUBWILYOYWWUKRS-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.73
Rot. Bonds1

About 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline

3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline (PubChem CID 121237017) has the molecular formula C11H8Br2ClNO and a molecular weight of 365.45 g/mol. Its IUPAC name is 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline.

Molecular Properties

Compound Name3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
PubChem CID121237017
Molecular FormulaC11H8Br2ClNO
Molecular Weight365.45 g/mol
Exact Mass362.87
IUPAC Name3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
SMILESCOc1cc(Cl)cc2c(Br)c(Br)c(C)nc12
InChIInChI=1S/C11H8Br2ClNO/c1-5-9(12)10(13)7-3-6(14)4-8(16-2)11(7)15-5/h3-4H,1-2H3
InChIKeyUBWILYOYWWUKRS-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4,6,8-trichloro-2-methylquinoline
CID 121236219
4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411
6-bromo-8-methoxy-4-methylquinazolin-2-amine
CID 135197532
2-bromo-8-chloro-6-methoxy-1-methylphenazine
CID 172864583
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
CID 97181901
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
4-chloro-3-ethyl-6-fluoro-8-methoxy-2-methylquinoline
CID 54967653
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
2-bromo-5-chloro-6,8-dimethoxyquinoline
CID 102941242
3-chloro-8-methoxy-2,6-dimethylquinoline
CID 164910532

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline?
The IUPAC name of 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline (CID 121237017) is 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline.
What is the SMILES notation for 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline?
The canonical SMILES for 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline is COc1cc(Cl)cc2c(Br)c(Br)c(C)nc12.
What is the InChIKey of 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline?
The InChIKey is UBWILYOYWWUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO/c1-5-9(12)10(13)7-3-6(14)4-8(16-2)11(7)15-5/h3-4H,1-2H3.
What are the key properties of 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline?
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline has a molecular weight of 365.45 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline is sourced from PubChem (CID 121237017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).