1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C16H19N3O3 — CID 71859584

IUPAC1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC(Cn1cccn1)OC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H19N3O3/c1-11(10-19-8-4-7-17-19)22-16(21)13-9-12-5-2-3-6-14(12)18-15(13)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,18,20)
InChIKeySRIJHECXLWKEHD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.70
Rot. Bonds4

About 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 71859584) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID71859584
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC(Cn1cccn1)OC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C16H19N3O3/c1-11(10-19-8-4-7-17-19)22-16(21)13-9-12-5-2-3-6-14(12)18-15(13)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,18,20)
InChIKeySRIJHECXLWKEHD-UHFFFAOYSA-N
XLogP1.70
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 97136672
[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
1-pyrazol-1-ylpropan-2-yl 4-nitrobenzoate
CID 71974723
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
(2S,3S)-3-methyl-2-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]pentanoic acid
CID 119194079
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
N-(2-hydroxy-2,3-dimethylpentyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111477834
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 71894387
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 71859584) is 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC(Cn1cccn1)OC(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is SRIJHECXLWKEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(10-19-8-4-7-17-19)22-16(21)13-9-12-5-2-3-6-14(12)18-15(13)20/h4,7-9,11H,2-3,5-6,10H2,1H3,(H,18,20).
What are the key properties of 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71859584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).