N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide

C21H20N4O3 — CID 121062115

IUPACN-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)22-12-13-23-20(27)16-6-9-17(10-7-16)24-21(28)19-11-8-15-4-2-3-5-18(15)25-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyLVSPUQAMNAVSOO-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide

N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 121062115) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
PubChem CID121062115
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)22-12-13-23-20(27)16-6-9-17(10-7-16)24-21(28)19-11-8-15-4-2-3-5-18(15)25-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)
InChIKeyLVSPUQAMNAVSOO-UHFFFAOYSA-N
XLogP2.35
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-benzoylbenzamide
CID 121062109
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide (CID 121062115) is N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide is CC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is LVSPUQAMNAVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)22-12-13-23-20(27)16-6-9-17(10-7-16)24-21(28)19-11-8-15-4-2-3-5-18(15)25-19/h2-11H,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,28).
What are the key properties of N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide?
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 121062115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).