N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide

C18H16N4O2 — CID 70680249

IUPACN-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc2cc3c(NC(=O)c4ccc(C)o4)nn(C)c3nc2c1
InChIInChI=1S/C18H16N4O2/c1-10-4-6-12-9-13-16(20-18(23)15-7-5-11(2)24-15)21-22(3)17(13)19-14(12)8-10/h4-9H,1-3H3,(H,20,21,23)
InChIKeyBWUFGLZYEXTGQT-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.58
Rot. Bonds2

About N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide

N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide (PubChem CID 70680249) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide
PubChem CID70680249
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide
SMILESCc1ccc2cc3c(NC(=O)c4ccc(C)o4)nn(C)c3nc2c1
InChIInChI=1S/C18H16N4O2/c1-10-4-6-12-9-13-16(20-18(23)15-7-5-11(2)24-15)21-22(3)17(13)19-14(12)8-10/h4-9H,1-3H3,(H,20,21,23)
InChIKeyBWUFGLZYEXTGQT-UHFFFAOYSA-N
XLogP3.58
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide (CID 70680249) is N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide is Cc1ccc2cc3c(NC(=O)c4ccc(C)o4)nn(C)c3nc2c1.
What is the InChIKey of N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide?
The InChIKey is BWUFGLZYEXTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-4-6-12-9-13-16(20-18(23)15-7-5-11(2)24-15)21-22(3)17(13)19-14(12)8-10/h4-9H,1-3H3,(H,20,21,23).
What are the key properties of N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide?
N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-dimethylpyrazolo[5,4-b]quinolin-3-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 70680249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).