(4-aminophenyl)-quinolin-7-ylmethanone

C16H12N2O — CID 116548753

IUPAC(4-aminophenyl)-quinolin-7-ylmethanone
SMILESNc1ccc(C(=O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H12N2O/c17-14-7-5-12(6-8-14)16(19)13-4-3-11-2-1-9-18-15(11)10-13/h1-10H,17H2
InChIKeyUCTADJQFHJFUAW-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.05
Rot. Bonds2

About (4-aminophenyl)-quinolin-7-ylmethanone

(4-aminophenyl)-quinolin-7-ylmethanone (PubChem CID 116548753) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is (4-aminophenyl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(4-aminophenyl)-quinolin-7-ylmethanone
PubChem CID116548753
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name(4-aminophenyl)-quinolin-7-ylmethanone
SMILESNc1ccc(C(=O)c2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H12N2O/c17-14-7-5-12(6-8-14)16(19)13-4-3-11-2-1-9-18-15(11)10-13/h1-10H,17H2
InChIKeyUCTADJQFHJFUAW-UHFFFAOYSA-N
XLogP3.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-quinolin-7-ylmethanone 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

(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206
1-quinolin-7-ylprop-2-en-1-one
CID 103453564
1-benzothiophen-2-yl(quinolin-7-yl)methanone
CID 115791003
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115790977
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
quinolin-7-yl quinoline-7-carboxylate
CID 142797869

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-quinolin-7-ylmethanone?
The IUPAC name of (4-aminophenyl)-quinolin-7-ylmethanone (CID 116548753) is (4-aminophenyl)-quinolin-7-ylmethanone.
What is the SMILES notation for (4-aminophenyl)-quinolin-7-ylmethanone?
The canonical SMILES for (4-aminophenyl)-quinolin-7-ylmethanone is Nc1ccc(C(=O)c2ccc3cccnc3c2)cc1.
What is the InChIKey of (4-aminophenyl)-quinolin-7-ylmethanone?
The InChIKey is UCTADJQFHJFUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-14-7-5-12(6-8-14)16(19)13-4-3-11-2-1-9-18-15(11)10-13/h1-10H,17H2.
What are the key properties of (4-aminophenyl)-quinolin-7-ylmethanone?
(4-aminophenyl)-quinolin-7-ylmethanone has a molecular weight of 248.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-quinolin-7-ylmethanone is sourced from PubChem (CID 116548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).