N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide

C18H22N4O — CID 938619

IUPACN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)19-15(23)9-11(2)3)10-13-8-6-7-12(4)16(13)20-18/h6-8,10-11H,5,9H2,1-4H3,(H,19,21,23)
InChIKeyGVXLGJBOVUBGCX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds4

About N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide

N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide (PubChem CID 938619) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
PubChem CID938619
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21
InChIInChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)19-15(23)9-11(2)3)10-13-8-6-7-12(4)16(13)20-18/h6-8,10-11H,5,9H2,1-4H3,(H,19,21,23)
InChIKeyGVXLGJBOVUBGCX-UHFFFAOYSA-N
XLogP3.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopropanecarboxamide
CID 6539577
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
CID 941125
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 944850
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pentanamide
CID 1624843
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 942876
2,2,2-trifluoro-N-(5-methyl[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetamide
CID 1089199
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 1398881
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)thiophene-2-carboxamide
CID 1414959
3-methyl-N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)butanamide
CID 1423418
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)oxolane-2-carboxamide
CID 3990423
N-{2-[(3-phenyl[1,2,3]triazolo[1,5-a]quinazolin-5-yl)amino]ethyl}acetamide
CID 6619965

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide (CID 938619) is N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide is CCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc21.
What is the InChIKey of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The InChIKey is GVXLGJBOVUBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)19-15(23)9-11(2)3)10-13-8-6-7-12(4)16(13)20-18/h6-8,10-11H,5,9H2,1-4H3,(H,19,21,23).
What are the key properties of N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).