N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide

C19H18N4OS — CID 1402347

IUPACN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C19H18N4OS/c1-3-8-23-18-14(11-13-10-12(2)6-7-15(13)20-18)17(22-23)21-19(24)16-5-4-9-25-16/h4-7,9-11H,3,8H2,1-2H3,(H,21,22,24)
InChIKeyPAACJKMIGXJCLN-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.62
Rot. Bonds4

About N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide

N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide (PubChem CID 1402347) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
PubChem CID1402347
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide
SMILESCCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C19H18N4OS/c1-3-8-23-18-14(11-13-10-12(2)6-7-15(13)20-18)17(22-23)21-19(24)16-5-4-9-25-16/h4-7,9-11H,3,8H2,1-2H3,(H,21,22,24)
InChIKeyPAACJKMIGXJCLN-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide (CID 1402347) is N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide is CCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc21.
What is the InChIKey of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
The InChIKey is PAACJKMIGXJCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-3-8-23-18-14(11-13-10-12(2)6-7-15(13)20-18)17(22-23)21-19(24)16-5-4-9-25-16/h4-7,9-11H,3,8H2,1-2H3,(H,21,22,24).
What are the key properties of N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide?
N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1402347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).