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

C20H26N4O2 — CID 1398674

IUPACN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O2/c1-12(2)8-18(25)22-19-16-10-14-9-15(26-5)6-7-17(14)21-20(16)24(23-19)11-13(3)4/h6-7,9-10,12-13H,8,11H2,1-5H3,(H,22,23,25)
InChIKeyGWBHDJPGXRBLQW-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.23
Rot. Bonds6

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

N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide (PubChem CID 1398674) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide
PubChem CID1398674
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O2/c1-12(2)8-18(25)22-19-16-10-14-9-15(26-5)6-7-17(14)21-20(16)24(23-19)11-13(3)4/h6-7,9-10,12-13H,8,11H2,1-5H3,(H,22,23,25)
InChIKeyGWBHDJPGXRBLQW-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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]-3-methylbutanamide?
The IUPAC name of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide (CID 1398674) is N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide is COc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C.
What is the InChIKey of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide?
The InChIKey is GWBHDJPGXRBLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12(2)8-18(25)22-19-16-10-14-9-15(26-5)6-7-17(14)21-20(16)24(23-19)11-13(3)4/h6-7,9-10,12-13H,8,11H2,1-5H3,(H,22,23,25).
What are the key properties of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide?
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]-3-methylbutanamide has a molecular weight of 354.45 g/mol, XLogP of 4.23, 6 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]-3-methylbutanamide is sourced from PubChem (CID 1398674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).