N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide

C18H22N4O — CID 932804

IUPACN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)20-16(23)8-11(2)3)10-13-9-12(4)6-7-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyXWTJJSIFCDSJOL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.90
Rot. Bonds4

About N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide

N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide (PubChem CID 932804) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
PubChem CID932804
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)20-16(23)8-11(2)3)10-13-9-12(4)6-7-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23)
InChIKeyXWTJJSIFCDSJOL-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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide (CID 932804) is N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide is CCn1nc(NC(=O)CC(C)C)c2cc3cc(C)ccc3nc21.
What is the InChIKey of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide?
The InChIKey is XWTJJSIFCDSJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-22-18-14(17(21-22)20-16(23)8-11(2)3)10-13-9-12(4)6-7-15(13)19-18/h6-7,9-11H,5,8H2,1-4H3,(H,20,21,23).
What are the key properties of N-(1-ethyl-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide?
N-(1-ethyl-6-methylpyrazolo[5,4-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-6-methylpyrazolo[5,4-b]quinolin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 932804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).