2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide

C21H22N6O — CID 19584056

IUPAC2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cn1
InChIInChI=1S/C21H22N6O/c1-2-27-14-16(13-24-27)20-12-18(17-6-3-4-7-19(17)25-20)21(28)23-8-5-10-26-11-9-22-15-26/h3-4,6-7,9,11-15H,2,5,8,10H2,1H3,(H,23,28)
InChIKeyGMYAASGFOZNROW-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.13
Rot. Bonds7

About 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide

2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 19584056) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID19584056
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cn1
InChIInChI=1S/C21H22N6O/c1-2-27-14-16(13-24-27)20-12-18(17-6-3-4-7-19(17)25-20)21(28)23-8-5-10-26-11-9-22-15-26/h3-4,6-7,9,11-15H,2,5,8,10H2,1H3,(H,23,28)
InChIKeyGMYAASGFOZNROW-UHFFFAOYSA-N
XLogP3.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 4606860
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
2-(3-chlorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 17372668
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-(3-imidazol-1-ylpropyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373735
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
CID 46957598

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 19584056) is 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is GMYAASGFOZNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-27-14-16(13-24-27)20-12-18(17-6-3-4-7-19(17)25-20)21(28)23-8-5-10-26-11-9-22-15-26/h3-4,6-7,9,11-15H,2,5,8,10H2,1H3,(H,23,28).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 19584056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).