5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one

C22H24N2O2 — CID 147119040

IUPAC5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc(-c2cnc3c(O)cccc3c2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(2)13-4-3-7-20(25)17-11-9-16(10-12-17)19-14-18-6-5-8-21(26)22(18)23-15-19/h5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3
InChIKeyBNZKVAPPZNGDCY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.52
Rot. Bonds7

About 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one

5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one (PubChem CID 147119040) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one
PubChem CID147119040
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one
SMILESCN(C)CCCCC(=O)c1ccc(-c2cnc3c(O)cccc3c2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(2)13-4-3-7-20(25)17-11-9-16(10-12-17)19-14-18-6-5-8-21(26)22(18)23-15-19/h5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3
InChIKeyBNZKVAPPZNGDCY-UHFFFAOYSA-N
XLogP4.52
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one?
The IUPAC name of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one (CID 147119040) is 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one.
What is the SMILES notation for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one?
The canonical SMILES for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one is CN(C)CCCCC(=O)c1ccc(-c2cnc3c(O)cccc3c2)cc1.
What is the InChIKey of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one?
The InChIKey is BNZKVAPPZNGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-24(2)13-4-3-7-20(25)17-11-9-16(10-12-17)19-14-18-6-5-8-21(26)22(18)23-15-19/h5-6,8-12,14-15,26H,3-4,7,13H2,1-2H3.
What are the key properties of 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one?
5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one has a molecular weight of 348.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-[4-(8-hydroxyquinolin-3-yl)phenyl]pentan-1-one is sourced from PubChem (CID 147119040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).