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

C12H12ClNO — CID 171373217

IUPAC4-chloro-6-methoxy-3,8-dimethylquinoline
SMILESCOc1cc(C)c2ncc(C)c(Cl)c2c1
InChIInChI=1S/C12H12ClNO/c1-7-4-9(15-3)5-10-11(13)8(2)6-14-12(7)10/h4-6H,1-3H3
InChIKeyPVGJYVVPAQKJMB-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.51
Rot. Bonds1

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

4-chloro-6-methoxy-3,8-dimethylquinoline (PubChem CID 171373217) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-chloro-6-methoxy-3,8-dimethylquinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-3,8-dimethylquinoline
PubChem CID171373217
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name4-chloro-6-methoxy-3,8-dimethylquinoline
SMILESCOc1cc(C)c2ncc(C)c(Cl)c2c1
InChIInChI=1S/C12H12ClNO/c1-7-4-9(15-3)5-10-11(13)8(2)6-14-12(7)10/h4-6H,1-3H3
InChIKeyPVGJYVVPAQKJMB-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
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
CID 171373414
6-chloro-4-methoxy-3,8-dimethylquinoline
CID 129268371
4,8-dichloro-7-methoxy-3-methylquinoline
CID 171373308
4-chloro-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 71741582
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807
6-methoxy-8-methyl-4-(methylamino)quinoline-3-carbonitrile
CID 62872646
4,6,7-trichloro-8-fluoro-3-methylquinoline
CID 171373330
4-chloro-6,8-difluoro-3,7-dimethylquinoline
CID 171373268
4-chloro-6-fluoro-3,7-dimethylquinolin-8-amine
CID 125425900
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
8-bromo-4-chloro-6,7-difluoro-3-methylquinoline
CID 171373376

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-3,8-dimethylquinoline?
The IUPAC name of 4-chloro-6-methoxy-3,8-dimethylquinoline (CID 171373217) is 4-chloro-6-methoxy-3,8-dimethylquinoline.
What is the SMILES notation for 4-chloro-6-methoxy-3,8-dimethylquinoline?
The canonical SMILES for 4-chloro-6-methoxy-3,8-dimethylquinoline is COc1cc(C)c2ncc(C)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-3,8-dimethylquinoline?
The InChIKey is PVGJYVVPAQKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-7-4-9(15-3)5-10-11(13)8(2)6-14-12(7)10/h4-6H,1-3H3.
What are the key properties of 4-chloro-6-methoxy-3,8-dimethylquinoline?
4-chloro-6-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 4-chloro-6-methoxy-3,8-dimethylquinoline is sourced from PubChem (CID 171373217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).