2-chloro-7-methoxy-4-methylquinoline

C11H10ClNO — CID 732214

IUPAC2-chloro-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(Cl)nc2c1
InChIInChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3
InChIKeySMJPQHMCVFWKMI-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.21
Rot. Bonds1

About 2-chloro-7-methoxy-4-methylquinoline

2-chloro-7-methoxy-4-methylquinoline (PubChem CID 732214) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-7-methoxy-4-methylquinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-4-methylquinoline
PubChem CID732214
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-7-methoxy-4-methylquinoline
SMILESCOc1ccc2c(C)cc(Cl)nc2c1
InChIInChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3
InChIKeySMJPQHMCVFWKMI-UHFFFAOYSA-N
XLogP3.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-7-methoxy-4-methylquinoline?
The IUPAC name of 2-chloro-7-methoxy-4-methylquinoline (CID 732214) is 2-chloro-7-methoxy-4-methylquinoline.
What is the SMILES notation for 2-chloro-7-methoxy-4-methylquinoline?
The canonical SMILES for 2-chloro-7-methoxy-4-methylquinoline is COc1ccc2c(C)cc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxy-4-methylquinoline?
The InChIKey is SMJPQHMCVFWKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3.
What are the key properties of 2-chloro-7-methoxy-4-methylquinoline?
2-chloro-7-methoxy-4-methylquinoline has a molecular weight of 207.66 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-4-methylquinoline is sourced from PubChem (CID 732214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).