ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate

C19H19N3O2 — CID 46197405

IUPACethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2nc3c(cc12)CCCC3
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)17-15-12-13-8-6-7-11-16(13)20-18(15)22(21-17)14-9-4-3-5-10-14/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyVFOILGSRKNRIIV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.48
Rot. Bonds3

About ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate

ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate (PubChem CID 46197405) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate
PubChem CID46197405
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)c2nc3c(cc12)CCCC3
InChIInChI=1S/C19H19N3O2/c1-2-24-19(23)17-15-12-13-8-6-7-11-16(13)20-18(15)22(21-17)14-9-4-3-5-10-14/h3-5,9-10,12H,2,6-8,11H2,1H3
InChIKeyVFOILGSRKNRIIV-UHFFFAOYSA-N
XLogP3.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]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

ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408
ethyl 5-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 122280313
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 2-methyl-3,5-dioxo-4-phenyl-1,2,4-triazine-6-carboxylate
CID 90397805
ethyl 4-amino-5-cyano-1-phenylpyrazole-3-carboxylate
CID 893054
ethyl 5-acetyl-1,4-diphenylpyrazole-3-carboxylate
CID 100975890
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
ethyl 1,5-diphenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 122367862
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 4-[(2-methoxyacetyl)amino]-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839304

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate (CID 46197405) is ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)c2nc3c(cc12)CCCC3.
What is the InChIKey of ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate?
The InChIKey is VFOILGSRKNRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-19(23)17-15-12-13-8-6-7-11-16(13)20-18(15)22(21-17)14-9-4-3-5-10-14/h3-5,9-10,12H,2,6-8,11H2,1H3.
What are the key properties of ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate?
ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline-3-carboxylate is sourced from PubChem (CID 46197405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).