2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide

C20H26N4O — CID 941653

IUPAC2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide
SMILESCc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(4,5)6)10-14-9-13(3)7-8-16(14)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25)
InChIKeyHHOGCIWSLGHTNM-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.53
Rot. Bonds3

About 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide

2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide (PubChem CID 941653) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide
PubChem CID941653
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide
SMILESCc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C
InChIInChI=1S/C20H26N4O/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(4,5)6)10-14-9-13(3)7-8-16(14)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25)
InChIKeyHHOGCIWSLGHTNM-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide (CID 941653) is 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide is Cc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C.
What is the InChIKey of 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide?
The InChIKey is HHOGCIWSLGHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12(2)11-24-18-15(17(23-24)22-19(25)20(4,5)6)10-14-9-13(3)7-8-16(14)21-18/h7-10,12H,11H2,1-6H3,(H,22,23,25).
What are the key properties of 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide?
2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]propanamide is sourced from PubChem (CID 941653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).