N-[(4-aminophenyl)methyl]quinoline-5-carboxamide

C17H15N3O — CID 62849516

IUPACN-[(4-aminophenyl)methyl]quinoline-5-carboxamide
SMILESNc1ccc(CNC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H15N3O/c18-13-8-6-12(7-9-13)11-20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21)
InChIKeyLGAOKOPJVFCDQS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.75
Rot. Bonds3

About N-[(4-aminophenyl)methyl]quinoline-5-carboxamide

N-[(4-aminophenyl)methyl]quinoline-5-carboxamide (PubChem CID 62849516) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]quinoline-5-carboxamide
PubChem CID62849516
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(4-aminophenyl)methyl]quinoline-5-carboxamide
SMILESNc1ccc(CNC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H15N3O/c18-13-8-6-12(7-9-13)11-20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21)
InChIKeyLGAOKOPJVFCDQS-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
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 N-[(4-aminophenyl)methyl]quinoline-5-carboxamide 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-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]quinoline-5-carboxamide
CID 75503534
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]quinoline-5-carboxamide (CID 62849516) is N-[(4-aminophenyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]quinoline-5-carboxamide is Nc1ccc(CNC(=O)c2cccc3ncccc23)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]quinoline-5-carboxamide?
The InChIKey is LGAOKOPJVFCDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-13-8-6-12(7-9-13)11-20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21).
What are the key properties of N-[(4-aminophenyl)methyl]quinoline-5-carboxamide?
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 62849516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).