3-chloro-6,7-dimethoxy-2-methylquinoline

C12H12ClNO2 — CID 174844835

IUPAC3-chloro-6,7-dimethoxy-2-methylquinoline
SMILESCOc1cc2cc(Cl)c(C)nc2cc1OC
InChIInChI=1S/C12H12ClNO2/c1-7-9(13)4-8-5-11(15-2)12(16-3)6-10(8)14-7/h4-6H,1-3H3
InChIKeyWDALSEUOFXNTKK-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.21
Rot. Bonds2

About 3-chloro-6,7-dimethoxy-2-methylquinoline

3-chloro-6,7-dimethoxy-2-methylquinoline (PubChem CID 174844835) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-6,7-dimethoxy-2-methylquinoline.

Molecular Properties

Compound Name3-chloro-6,7-dimethoxy-2-methylquinoline
PubChem CID174844835
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-chloro-6,7-dimethoxy-2-methylquinoline
SMILESCOc1cc2cc(Cl)c(C)nc2cc1OC
InChIInChI=1S/C12H12ClNO2/c1-7-9(13)4-8-5-11(15-2)12(16-3)6-10(8)14-7/h4-6H,1-3H3
InChIKeyWDALSEUOFXNTKK-UHFFFAOYSA-N
XLogP3.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6,7-dimethoxy-2-methylquinoline?
The IUPAC name of 3-chloro-6,7-dimethoxy-2-methylquinoline (CID 174844835) is 3-chloro-6,7-dimethoxy-2-methylquinoline.
What is the SMILES notation for 3-chloro-6,7-dimethoxy-2-methylquinoline?
The canonical SMILES for 3-chloro-6,7-dimethoxy-2-methylquinoline is COc1cc2cc(Cl)c(C)nc2cc1OC.
What is the InChIKey of 3-chloro-6,7-dimethoxy-2-methylquinoline?
The InChIKey is WDALSEUOFXNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7-9(13)4-8-5-11(15-2)12(16-3)6-10(8)14-7/h4-6H,1-3H3.
What are the key properties of 3-chloro-6,7-dimethoxy-2-methylquinoline?
3-chloro-6,7-dimethoxy-2-methylquinoline has a molecular weight of 237.69 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6,7-dimethoxy-2-methylquinoline is sourced from PubChem (CID 174844835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).