2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol

C17H23NO — CID 82448658

IUPAC2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C)c2c(C(C)(C)O)cc(C(C)C)nc2c1
InChIInChI=1S/C17H23NO/c1-10(2)14-9-13(17(5,6)19)16-12(4)7-11(3)8-15(16)18-14/h7-10,19H,1-6H3
InChIKeyHKHZBNCHCPUCNX-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds2

About 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol

2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol (PubChem CID 82448658) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
PubChem CID82448658
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
SMILESCc1cc(C)c2c(C(C)(C)O)cc(C(C)C)nc2c1
InChIInChI=1S/C17H23NO/c1-10(2)14-9-13(17(5,6)19)16-12(4)7-11(3)8-15(16)18-14/h7-10,19H,1-6H3
InChIKeyHKHZBNCHCPUCNX-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The IUPAC name of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol (CID 82448658) is 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The canonical SMILES for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol is Cc1cc(C)c2c(C(C)(C)O)cc(C(C)C)nc2c1.
What is the InChIKey of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
The InChIKey is HKHZBNCHCPUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-10(2)14-9-13(17(5,6)19)16-12(4)7-11(3)8-15(16)18-14/h7-10,19H,1-6H3.
What are the key properties of 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol?
2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)propan-2-ol is sourced from PubChem (CID 82448658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).