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

C20H20N4O2S — CID 665435

IUPACN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C
InChIInChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyGZTSSNCBJRWJOA-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.56
Rot. Bonds5

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

N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide (PubChem CID 665435) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide
PubChem CID665435
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C
InChIInChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyGZTSSNCBJRWJOA-UHFFFAOYSA-N
XLogP4.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]thiophene-2-carboxamide?
The IUPAC name of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide (CID 665435) is N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide is COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C.
What is the InChIKey of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide?
The InChIKey is GZTSSNCBJRWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25).
What are the key properties of N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide?
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]thiophene-2-carboxamide is sourced from PubChem (CID 665435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).