7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid

C18H20N4O3 — CID 136619027

IUPAC7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid
SMILESCCc1cc2[nH]c(=O)c3cnn([C@H]4CCN(C)C4)c3c2cc1C(=O)O
InChIInChI=1S/C18H20N4O3/c1-3-10-6-15-13(7-12(10)18(24)25)16-14(17(23)20-15)8-19-22(16)11-4-5-21(2)9-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,23)(H,24,25)/t11-/m0/s1
InChIKeyDWUQATMEUDGRDR-NSHDSACASA-N
MW340.38 g/mol
LogP2.02
Rot. Bonds3

About 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid

7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid (PubChem CID 136619027) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid
PubChem CID136619027
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid
SMILESCCc1cc2[nH]c(=O)c3cnn([C@H]4CCN(C)C4)c3c2cc1C(=O)O
InChIInChI=1S/C18H20N4O3/c1-3-10-6-15-13(7-12(10)18(24)25)16-14(17(23)20-15)8-19-22(16)11-4-5-21(2)9-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,23)(H,24,25)/t11-/m0/s1
InChIKeyDWUQATMEUDGRDR-NSHDSACASA-N
XLogP2.02
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid?
The IUPAC name of 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid (CID 136619027) is 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid?
The canonical SMILES for 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid is CCc1cc2[nH]c(=O)c3cnn([C@H]4CCN(C)C4)c3c2cc1C(=O)O.
What is the InChIKey of 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid?
The InChIKey is DWUQATMEUDGRDR-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-10-6-15-13(7-12(10)18(24)25)16-14(17(23)20-15)8-19-22(16)11-4-5-21(2)9-11/h6-8,11H,3-5,9H2,1-2H3,(H,20,23)(H,24,25)/t11-/m0/s1.
What are the key properties of 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid?
7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[(3S)-1-methylpyrrolidin-3-yl]-4-oxo-5H-pyrazolo[4,5-c]quinoline-8-carboxylic acid is sourced from PubChem (CID 136619027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).