N,2-bis(4-aminophenyl)quinoline-8-carboxamide

C22H18N4O — CID 162143606

IUPACN,2-bis(4-aminophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1
InChIInChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27)
InChIKeyHWTAIRZWXGOLLW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.32
Rot. Bonds3

About N,2-bis(4-aminophenyl)quinoline-8-carboxamide

N,2-bis(4-aminophenyl)quinoline-8-carboxamide (PubChem CID 162143606) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N,2-bis(4-aminophenyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-aminophenyl)quinoline-8-carboxamide
PubChem CID162143606
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN,2-bis(4-aminophenyl)quinoline-8-carboxamide
SMILESNc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1
InChIInChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27)
InChIKeyHWTAIRZWXGOLLW-UHFFFAOYSA-N
XLogP4.32
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,2-bis(4-aminophenyl)quinoline-8-carboxamide 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,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The IUPAC name of N,2-bis(4-aminophenyl)quinoline-8-carboxamide (CID 162143606) is N,2-bis(4-aminophenyl)quinoline-8-carboxamide.
What is the SMILES notation for N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The canonical SMILES for N,2-bis(4-aminophenyl)quinoline-8-carboxamide is Nc1ccc(NC(=O)c2cccc3ccc(-c4ccc(N)cc4)nc23)cc1.
What is the InChIKey of N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
The InChIKey is HWTAIRZWXGOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-16-7-4-14(5-8-16)20-13-6-15-2-1-3-19(21(15)26-20)22(27)25-18-11-9-17(24)10-12-18/h1-13H,23-24H2,(H,25,27).
What are the key properties of N,2-bis(4-aminophenyl)quinoline-8-carboxamide?
N,2-bis(4-aminophenyl)quinoline-8-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-aminophenyl)quinoline-8-carboxamide is sourced from PubChem (CID 162143606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).