5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol

C22H26N2O — CID 547010

IUPAC5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol
SMILESCN(C)CCCC(C)(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H26N2O/c1-22(25,14-9-15-24(2)3)19-16-21(17-10-5-4-6-11-17)23-20-13-8-7-12-18(19)20/h4-8,10-13,16,25H,9,14-15H2,1-3H3
InChIKeyBAVFWVPPZKPFIJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.45
Rot. Bonds6

About 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol

5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol (PubChem CID 547010) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol
PubChem CID547010
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol
SMILESCN(C)CCCC(C)(O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H26N2O/c1-22(25,14-9-15-24(2)3)19-16-21(17-10-5-4-6-11-17)23-20-13-8-7-12-18(19)20/h4-8,10-13,16,25H,9,14-15H2,1-3H3
InChIKeyBAVFWVPPZKPFIJ-UHFFFAOYSA-N
XLogP4.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol?
The IUPAC name of 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol (CID 547010) is 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol.
What is the SMILES notation for 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol?
The canonical SMILES for 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol is CN(C)CCCC(C)(O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol?
The InChIKey is BAVFWVPPZKPFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-22(25,14-9-15-24(2)3)19-16-21(17-10-5-4-6-11-17)23-20-13-8-7-12-18(19)20/h4-8,10-13,16,25H,9,14-15H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol?
5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol has a molecular weight of 334.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-phenylquinolin-4-yl)pentan-2-ol is sourced from PubChem (CID 547010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).