2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide

C20H21N3O — CID 53299590

IUPAC2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H21N3O/c21-19-17(14-16-11-4-5-12-18(16)23-19)20(24)22-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H2,21,23)(H,22,24)
InChIKeyCCMWUCOQMQVHLL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.57
Rot. Bonds6

About 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide

2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide (PubChem CID 53299590) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide
PubChem CID53299590
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide
SMILESNc1nc2ccccc2cc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C20H21N3O/c21-19-17(14-16-11-4-5-12-18(16)23-19)20(24)22-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H2,21,23)(H,22,24)
InChIKeyCCMWUCOQMQVHLL-UHFFFAOYSA-N
XLogP3.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-phenylbutyl)quinoline-3-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 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide?
The IUPAC name of 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide (CID 53299590) is 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide is Nc1nc2ccccc2cc1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide?
The InChIKey is CCMWUCOQMQVHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-19-17(14-16-11-4-5-12-18(16)23-19)20(24)22-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H2,21,23)(H,22,24).
What are the key properties of 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide?
2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-phenylbutyl)quinoline-3-carboxamide is sourced from PubChem (CID 53299590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).