N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide

C20H20N4O2 — CID 944098

IUPACN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
SMILESCc1cccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc12
InChIInChI=1S/C20H20N4O2/c1-12(2)11-24-19-15(10-14-7-4-6-13(3)17(14)21-19)18(23-24)22-20(25)16-8-5-9-26-16/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyYLGKBNMZXWAUIA-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.39
Rot. Bonds4

About N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide (PubChem CID 944098) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
PubChem CID944098
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
SMILESCc1cccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc12
InChIInChI=1S/C20H20N4O2/c1-12(2)11-24-19-15(10-14-7-4-6-13(3)17(14)21-19)18(23-24)22-20(25)16-8-5-9-26-16/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyYLGKBNMZXWAUIA-UHFFFAOYSA-N
XLogP4.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1399895
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]butanamide
CID 942196
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 664497
5-[(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)amino]-5-oxopentanoic acid
CID 3162704
4-[(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)amino]-4-oxobutanoate
CID 7258195
2-methoxy-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]benzamide
CID 1402366
N-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 3513318
N-(5-tert-butyl-1-ethylthieno[3,2-d]pyrazol-3-yl)furan-2-carboxamide
CID 141124723
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide (CID 944098) is N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide is Cc1cccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc12.
What is the InChIKey of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide?
The InChIKey is YLGKBNMZXWAUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)11-24-19-15(10-14-7-4-6-13(3)17(14)21-19)18(23-24)22-20(25)16-8-5-9-26-16/h4-10,12H,11H2,1-3H3,(H,22,23,25).
What are the key properties of N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide?
N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 944098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).