N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide

C21H23N3O — CID 26035305

IUPACN-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
SMILESCCN(CCCNC(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-24(17-9-4-3-5-10-17)16-8-15-23-21(25)19-11-6-13-20-18(19)12-7-14-22-20/h3-7,9-14H,2,8,15-16H2,1H3,(H,23,25)
InChIKeyGYJFPKBPGSPSTJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.88
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide

N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide (PubChem CID 26035305) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
PubChem CID26035305
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
SMILESCCN(CCCNC(=O)c1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-24(17-9-4-3-5-10-17)16-8-15-23-21(25)19-11-6-13-20-18(19)12-7-14-22-20/h3-7,9-14H,2,8,15-16H2,1H3,(H,23,25)
InChIKeyGYJFPKBPGSPSTJ-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(N-ethylanilino)propyl]pyridine-3-carboxamide
CID 35425242
N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288010
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
CID 20854476
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide (CID 26035305) is N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide is CCN(CCCNC(=O)c1cccc2ncccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide?
The InChIKey is GYJFPKBPGSPSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-24(17-9-4-3-5-10-17)16-8-15-23-21(25)19-11-6-13-20-18(19)12-7-14-22-20/h3-7,9-14H,2,8,15-16H2,1H3,(H,23,25).
What are the key properties of N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide?
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide is sourced from PubChem (CID 26035305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).