N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide

C19H22N4O2 — CID 665069

IUPACN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
SMILESCC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21
InChIInChI=1S/C19H22N4O2/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,21,22,24)
InChIKeyHJWNIUBMVRBASL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide

N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide (PubChem CID 665069) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
PubChem CID665069
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide
SMILESCC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21
InChIInChI=1S/C19H22N4O2/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,21,22,24)
InChIKeyHJWNIUBMVRBASL-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide 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 N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide (CID 665069) is N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide is CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide?
The InChIKey is HJWNIUBMVRBASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)11-23-18-14(10-13-6-3-4-7-15(13)20-18)17(22-23)21-19(24)16-8-5-9-25-16/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide?
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 665069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).