N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide

C19H19N3O — CID 162460245

IUPACN-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
SMILESNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H19N3O/c20-11-6-12-21-19(23)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-5,7-10,13H,6,11-12,20H2,(H,21,23)
InChIKeyCJMHMBUZOOYWMN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.98
Rot. Bonds5

About N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide

N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide (PubChem CID 162460245) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
PubChem CID162460245
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
SMILESNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H19N3O/c20-11-6-12-21-19(23)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-5,7-10,13H,6,11-12,20H2,(H,21,23)
InChIKeyCJMHMBUZOOYWMN-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(3-aminopropylcarbamoyl)quinolin-2-yl]phenoxy]boronic acid
CID 175150496
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide (CID 162460245) is N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide is NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is CJMHMBUZOOYWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-11-6-12-21-19(23)16-13-18(14-7-2-1-3-8-14)22-17-10-5-4-9-15(16)17/h1-5,7-10,13H,6,11-12,20H2,(H,21,23).
What are the key properties of N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide?
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 162460245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).