4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline

C19H18ClNO2 — CID 70978267

IUPAC4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
SMILESCOc1ccc2c(Cl)cc(-c3ccc(OC(C)C)cc3)nc2c1
InChIInChI=1S/C19H18ClNO2/c1-12(2)23-14-6-4-13(5-7-14)18-11-17(20)16-9-8-15(22-3)10-19(16)21-18/h4-12H,1-3H3
InChIKeyWKGWSQCDZABNQB-UHFFFAOYSA-N
MW327.81 g/mol
LogP5.35
Rot. Bonds4

About 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline

4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline (PubChem CID 70978267) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
PubChem CID70978267
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
SMILESCOc1ccc2c(Cl)cc(-c3ccc(OC(C)C)cc3)nc2c1
InChIInChI=1S/C19H18ClNO2/c1-12(2)23-14-6-4-13(5-7-14)18-11-17(20)16-9-8-15(22-3)10-19(16)21-18/h4-12H,1-3H3
InChIKeyWKGWSQCDZABNQB-UHFFFAOYSA-N
XLogP5.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.81
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)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 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline?
The IUPAC name of 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline (CID 70978267) is 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline.
What is the SMILES notation for 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline?
The canonical SMILES for 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline is COc1ccc2c(Cl)cc(-c3ccc(OC(C)C)cc3)nc2c1.
What is the InChIKey of 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline?
The InChIKey is WKGWSQCDZABNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-12(2)23-14-6-4-13(5-7-14)18-11-17(20)16-9-8-15(22-3)10-19(16)21-18/h4-12H,1-3H3.
What are the key properties of 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline?
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline has a molecular weight of 327.81 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline is sourced from PubChem (CID 70978267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).