6-chloro-4-methoxy-3,8-dimethylquinoline

C12H12ClNO — CID 129268371

IUPAC6-chloro-4-methoxy-3,8-dimethylquinoline
SMILESCOc1c(C)cnc2c(C)cc(Cl)cc12
InChIInChI=1S/C12H12ClNO/c1-7-4-9(13)5-10-11(7)14-6-8(2)12(10)15-3/h4-6H,1-3H3
InChIKeyYBOJZVRUVADAGD-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.51
Rot. Bonds1

About 6-chloro-4-methoxy-3,8-dimethylquinoline

6-chloro-4-methoxy-3,8-dimethylquinoline (PubChem CID 129268371) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3,8-dimethylquinoline.

Molecular Properties

Compound Name6-chloro-4-methoxy-3,8-dimethylquinoline
PubChem CID129268371
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name6-chloro-4-methoxy-3,8-dimethylquinoline
SMILESCOc1c(C)cnc2c(C)cc(Cl)cc12
InChIInChI=1S/C12H12ClNO/c1-7-4-9(13)5-10-11(7)14-6-8(2)12(10)15-3/h4-6H,1-3H3
InChIKeyYBOJZVRUVADAGD-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

4,6-dichloro-8-methoxy-3-methylquinoline
CID 171373411
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
4-chloro-6-methoxy-3,8-dimethylquinoline
CID 171373217
8-chloro-4-methoxy-3-methyl-1,5-naphthyridine
CID 144929643
5-chloro-N-(chloromethyl)-2-methoxy-3-methylaniline
CID 115262707
6-chloro-4-(dimethylamino)-8-methylquinoline-3-carbonitrile
CID 82244214
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
8-bromo-4-methoxy-3-methylquinoline;ethane
CID 144929757
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
CID 171373414
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
2-bromo-3,4-dimethoxy-5-methylpyridine
CID 174523781

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3,8-dimethylquinoline?
The IUPAC name of 6-chloro-4-methoxy-3,8-dimethylquinoline (CID 129268371) is 6-chloro-4-methoxy-3,8-dimethylquinoline.
What is the SMILES notation for 6-chloro-4-methoxy-3,8-dimethylquinoline?
The canonical SMILES for 6-chloro-4-methoxy-3,8-dimethylquinoline is COc1c(C)cnc2c(C)cc(Cl)cc12.
What is the InChIKey of 6-chloro-4-methoxy-3,8-dimethylquinoline?
The InChIKey is YBOJZVRUVADAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7-4-9(13)5-10-11(7)14-6-8(2)12(10)15-3/h4-6H,1-3H3.
What are the key properties of 6-chloro-4-methoxy-3,8-dimethylquinoline?
6-chloro-4-methoxy-3,8-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 6-chloro-4-methoxy-3,8-dimethylquinoline is sourced from PubChem (CID 129268371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).