1-chloro-7-methoxy-3-methyl-2H-quinoline

C11H12ClNO — CID 170988106

IUPAC1-chloro-7-methoxy-3-methyl-2H-quinoline
SMILESCOc1ccc2c(c1)N(Cl)CC(C)=C2
InChIInChI=1S/C11H12ClNO/c1-8-5-9-3-4-10(14-2)6-11(9)13(12)7-8/h3-6H,7H2,1-2H3
InChIKeyJUTUAPMCGCGFGG-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.07
Rot. Bonds1

About 1-chloro-7-methoxy-3-methyl-2H-quinoline

1-chloro-7-methoxy-3-methyl-2H-quinoline (PubChem CID 170988106) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-chloro-7-methoxy-3-methyl-2H-quinoline.

Molecular Properties

Compound Name1-chloro-7-methoxy-3-methyl-2H-quinoline
PubChem CID170988106
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-chloro-7-methoxy-3-methyl-2H-quinoline
SMILESCOc1ccc2c(c1)N(Cl)CC(C)=C2
InChIInChI=1S/C11H12ClNO/c1-8-5-9-3-4-10(14-2)6-11(9)13(12)7-8/h3-6H,7H2,1-2H3
InChIKeyJUTUAPMCGCGFGG-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-7-methoxy-3-methyl-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxy-3-methyl-2H-quinoline?
The IUPAC name of 1-chloro-7-methoxy-3-methyl-2H-quinoline (CID 170988106) is 1-chloro-7-methoxy-3-methyl-2H-quinoline.
What is the SMILES notation for 1-chloro-7-methoxy-3-methyl-2H-quinoline?
The canonical SMILES for 1-chloro-7-methoxy-3-methyl-2H-quinoline is COc1ccc2c(c1)N(Cl)CC(C)=C2.
What is the InChIKey of 1-chloro-7-methoxy-3-methyl-2H-quinoline?
The InChIKey is JUTUAPMCGCGFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8-5-9-3-4-10(14-2)6-11(9)13(12)7-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-chloro-7-methoxy-3-methyl-2H-quinoline?
1-chloro-7-methoxy-3-methyl-2H-quinoline has a molecular weight of 209.68 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxy-3-methyl-2H-quinoline is sourced from PubChem (CID 170988106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).