3-chloro-8-methoxy-2,6-dimethylquinoline

C12H12ClNO — CID 164910532

IUPAC3-chloro-8-methoxy-2,6-dimethylquinoline
SMILESCOc1cc(C)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C12H12ClNO/c1-7-4-9-6-10(13)8(2)14-12(9)11(5-7)15-3/h4-6H,1-3H3
InChIKeyQBHUORZEJJYCON-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.51
Rot. Bonds1

About 3-chloro-8-methoxy-2,6-dimethylquinoline

3-chloro-8-methoxy-2,6-dimethylquinoline (PubChem CID 164910532) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-8-methoxy-2,6-dimethylquinoline.

Molecular Properties

Compound Name3-chloro-8-methoxy-2,6-dimethylquinoline
PubChem CID164910532
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name3-chloro-8-methoxy-2,6-dimethylquinoline
SMILESCOc1cc(C)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C12H12ClNO/c1-7-4-9-6-10(13)8(2)14-12(9)11(5-7)15-3/h4-6H,1-3H3
InChIKeyQBHUORZEJJYCON-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-2,3,6-trimethylquinoline
CID 164911251
3-chloro-6,7-dimethoxy-2-methylquinoline
CID 174844835
8-methoxy-2,6-dimethylquinazoline
CID 143712441
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-(chloromethyl)-4-methoxy-6-methyl-1H-benzimidazole
CID 130053126
8-methoxy-2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 84625441
8-methoxy-6-methyl-N-propan-2-ylquinolin-2-amine
CID 84626112
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017
(5-chloro-2-methoxy-6-methyl-3-pyridinyl)boronic acid
CID 91658787
3-chloro-2,8-dimethyl-1,7-naphthyridine
CID 174947620
(6,8-dimethoxy-2-methylquinolin-3-yl)methanamine
CID 82242916
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-2,6-dimethylquinoline?
The IUPAC name of 3-chloro-8-methoxy-2,6-dimethylquinoline (CID 164910532) is 3-chloro-8-methoxy-2,6-dimethylquinoline.
What is the SMILES notation for 3-chloro-8-methoxy-2,6-dimethylquinoline?
The canonical SMILES for 3-chloro-8-methoxy-2,6-dimethylquinoline is COc1cc(C)cc2cc(Cl)c(C)nc12.
What is the InChIKey of 3-chloro-8-methoxy-2,6-dimethylquinoline?
The InChIKey is QBHUORZEJJYCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7-4-9-6-10(13)8(2)14-12(9)11(5-7)15-3/h4-6H,1-3H3.
What are the key properties of 3-chloro-8-methoxy-2,6-dimethylquinoline?
3-chloro-8-methoxy-2,6-dimethylquinoline has a molecular weight of 221.69 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-2,6-dimethylquinoline is sourced from PubChem (CID 164910532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).