N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide

C20H19N3O2 — CID 8991025

IUPACN-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c1-14(24)21-11-12-22-20(25)17-13-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyAKHIRNGNFCIBMP-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.77
Rot. Bonds5

About N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide

N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 8991025) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
PubChem CID8991025
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H19N3O2/c1-14(24)21-11-12-22-20(25)17-13-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyAKHIRNGNFCIBMP-UHFFFAOYSA-N
XLogP2.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.77
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

N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide (CID 8991025) is N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide is CC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is AKHIRNGNFCIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(24)21-11-12-22-20(25)17-13-19(15-7-3-2-4-8-15)23-18-10-6-5-9-16(17)18/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide?
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 8991025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).