2-(4-aminophenyl)-1-quinolin-5-ylethanone

C17H14N2O — CID 116549569

IUPAC2-(4-aminophenyl)-1-quinolin-5-ylethanone
SMILESNc1ccc(CC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H14N2O/c18-13-8-6-12(7-9-13)11-17(20)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2
InChIKeyVZHHGBCVYGSXIK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-aminophenyl)-1-quinolin-5-ylethanone

2-(4-aminophenyl)-1-quinolin-5-ylethanone (PubChem CID 116549569) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-quinolin-5-ylethanone
PubChem CID116549569
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(4-aminophenyl)-1-quinolin-5-ylethanone
SMILESNc1ccc(CC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H14N2O/c18-13-8-6-12(7-9-13)11-17(20)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2
InChIKeyVZHHGBCVYGSXIK-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-quinolin-5-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
1-quinolin-5-ylhexan-1-one
CID 115789824
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
2-(3-fluorophenyl)-1-quinolin-4-ylethanone
CID 105080568
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(4-aminophenyl)-1-quinolin-5-ylethanone (CID 116549569) is 2-(4-aminophenyl)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-quinolin-5-ylethanone is Nc1ccc(CC(=O)c2cccc3ncccc23)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-quinolin-5-ylethanone?
The InChIKey is VZHHGBCVYGSXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-13-8-6-12(7-9-13)11-17(20)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2.
What are the key properties of 2-(4-aminophenyl)-1-quinolin-5-ylethanone?
2-(4-aminophenyl)-1-quinolin-5-ylethanone has a molecular weight of 262.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-quinolin-5-ylethanone is sourced from PubChem (CID 116549569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).