2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol

C13H13Cl2NO — CID 82449382

IUPAC2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H13Cl2NO/c1-7-4-10(13(2,3)17)9-5-8(14)6-11(15)12(9)16-7/h4-6,17H,1-3H3
InChIKeyFYLPTLLKLNAATN-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.08
Rot. Bonds1

About 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol

2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol (PubChem CID 82449382) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
PubChem CID82449382
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C13H13Cl2NO/c1-7-4-10(13(2,3)17)9-5-8(14)6-11(15)12(9)16-7/h4-6,17H,1-3H3
InChIKeyFYLPTLLKLNAATN-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol 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 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol (CID 82449382) is 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol is Cc1cc(C(C)(C)O)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol?
The InChIKey is FYLPTLLKLNAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-7-4-10(13(2,3)17)9-5-8(14)6-11(15)12(9)16-7/h4-6,17H,1-3H3.
What are the key properties of 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol?
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol has a molecular weight of 270.16 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 82449382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).