N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide

C19H16ClN3O2 — CID 41448498

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-5-14(6-9-15)18(24)21-11-12-22-19(25)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyOWQMTVYLZPNXLT-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.05
Rot. Bonds5

About N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide (PubChem CID 41448498) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
PubChem CID41448498
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c20-15-8-5-14(6-9-15)18(24)21-11-12-22-19(25)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,21,24)(H,22,25)
InChIKeyOWQMTVYLZPNXLT-UHFFFAOYSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.05
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-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]quinoline-2-carboxamide
CID 18569760
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
2-(4-chlorophenyl)-1-quinolin-2-ylethanone
CID 63222375
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide (CID 41448498) is N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide is O=C(NCCNC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide?
The InChIKey is OWQMTVYLZPNXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-15-8-5-14(6-9-15)18(24)21-11-12-22-19(25)17-10-7-13-3-1-2-4-16(13)23-17/h1-10H,11-12H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 41448498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).