2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol

C18H25NO — CID 82448690

IUPAC2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C)c2c(C(C)(C)O)cc(C(C)(C)C)nc2c1
InChIInChI=1S/C18H25NO/c1-11-8-12(2)16-13(18(6,7)20)10-15(17(3,4)5)19-14(16)9-11/h8-10,20H,1-7H3
InChIKeyFSMFPDCRQVVTHQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.38
Rot. Bonds1

About 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol

2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol (PubChem CID 82448690) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
PubChem CID82448690
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C)c2c(C(C)(C)O)cc(C(C)(C)C)nc2c1
InChIInChI=1S/C18H25NO/c1-11-8-12(2)16-13(18(6,7)20)10-15(17(3,4)5)19-14(16)9-11/h8-10,20H,1-7H3
InChIKeyFSMFPDCRQVVTHQ-UHFFFAOYSA-N
XLogP4.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-tert-butyl-5,7-dimethylquinolin-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-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol (CID 82448690) is 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol is Cc1cc(C)c2c(C(C)(C)O)cc(C(C)(C)C)nc2c1.
What is the InChIKey of 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol?
The InChIKey is FSMFPDCRQVVTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-8-12(2)16-13(18(6,7)20)10-15(17(3,4)5)19-14(16)9-11/h8-10,20H,1-7H3.
What are the key properties of 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol?
2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 82448690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).