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

C12H12ClNO2 — CID 18524412

IUPAC2-chloro-6,7-dimethoxy-3-methylquinoline
SMILESCOc1cc2cc(C)c(Cl)nc2cc1OC
InChIInChI=1S/C12H12ClNO2/c1-7-4-8-5-10(15-2)11(16-3)6-9(8)14-12(7)13/h4-6H,1-3H3
InChIKeyGQKKWBQAXORHHB-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.21
Rot. Bonds2

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

2-chloro-6,7-dimethoxy-3-methylquinoline (PubChem CID 18524412) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-3-methylquinoline.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-3-methylquinoline
PubChem CID18524412
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-chloro-6,7-dimethoxy-3-methylquinoline
SMILESCOc1cc2cc(C)c(Cl)nc2cc1OC
InChIInChI=1S/C12H12ClNO2/c1-7-4-8-5-10(15-2)11(16-3)6-9(8)14-12(7)13/h4-6H,1-3H3
InChIKeyGQKKWBQAXORHHB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-3-methylquinoline?
The IUPAC name of 2-chloro-6,7-dimethoxy-3-methylquinoline (CID 18524412) is 2-chloro-6,7-dimethoxy-3-methylquinoline.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-3-methylquinoline?
The canonical SMILES for 2-chloro-6,7-dimethoxy-3-methylquinoline is COc1cc2cc(C)c(Cl)nc2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-3-methylquinoline?
The InChIKey is GQKKWBQAXORHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7-4-8-5-10(15-2)11(16-3)6-9(8)14-12(7)13/h4-6H,1-3H3.
What are the key properties of 2-chloro-6,7-dimethoxy-3-methylquinoline?
2-chloro-6,7-dimethoxy-3-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 2-chloro-6,7-dimethoxy-3-methylquinoline is sourced from PubChem (CID 18524412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).