N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide

C23H27N3O2 — CID 3129247

IUPACN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H27N3O2/c1-4-5-8-20(27)25-21(17-9-12-18(13-10-17)26(2)3)19-14-11-16-7-6-15-24-22(16)23(19)28/h6-7,9-15,21,28H,4-5,8H2,1-3H3,(H,25,27)
InChIKeyQFCCYBSDVVCERY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide

N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide (PubChem CID 3129247) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
PubChem CID3129247
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide
SMILESCCCCC(=O)NC(c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C23H27N3O2/c1-4-5-8-20(27)25-21(17-9-12-18(13-10-17)26(2)3)19-14-11-16-7-6-15-24-22(16)23(19)28/h6-7,9-15,21,28H,4-5,8H2,1-3H3,(H,25,27)
InChIKeyQFCCYBSDVVCERY-UHFFFAOYSA-N
XLogP4.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide 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 N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide (CID 3129247) is N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide is CCCCC(=O)NC(c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
The InChIKey is QFCCYBSDVVCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-5-8-20(27)25-21(17-9-12-18(13-10-17)26(2)3)19-14-11-16-7-6-15-24-22(16)23(19)28/h6-7,9-15,21,28H,4-5,8H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide?
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide has a molecular weight of 377.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]pentanamide is sourced from PubChem (CID 3129247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).