N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide

C20H26N4O2 — CID 1409797

IUPACN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O2/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(3,4)5)10-13-9-14(26-6)7-8-16(13)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25)
InChIKeyNVKPUIUQUNVJJH-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.23
Rot. Bonds4

About N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide

N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide (PubChem CID 1409797) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
PubChem CID1409797
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O2/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(3,4)5)10-13-9-14(26-6)7-8-16(13)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25)
InChIKeyNVKPUIUQUNVJJH-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide (CID 1409797) is N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide is COc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C.
What is the InChIKey of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is NVKPUIUQUNVJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(3,4)5)10-13-9-14(26-6)7-8-16(13)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25).
What are the key properties of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide?
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 354.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1409797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).