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

C17H20N4O — CID 664468

IUPACN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCc1cccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc12
InChIInChI=1S/C17H20N4O/c1-10(2)8-14(22)18-16-13-9-12-7-5-6-11(3)15(12)19-17(13)21(4)20-16/h5-7,9-10H,8H2,1-4H3,(H,18,20,22)
InChIKeyREJRKCSRQCRUFX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.41
Rot. Bonds3

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

N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide (PubChem CID 664468) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
PubChem CID664468
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
SMILESCc1cccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc12
InChIInChI=1S/C17H20N4O/c1-10(2)8-14(22)18-16-13-9-12-7-5-6-11(3)15(12)19-17(13)21(4)20-16/h5-7,9-10H,8H2,1-4H3,(H,18,20,22)
InChIKeyREJRKCSRQCRUFX-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide (CID 664468) is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The canonical SMILES for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide is Cc1cccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc12.
What is the InChIKey of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
The InChIKey is REJRKCSRQCRUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)8-14(22)18-16-13-9-12-7-5-6-11(3)15(12)19-17(13)21(4)20-16/h5-7,9-10H,8H2,1-4H3,(H,18,20,22).
What are the key properties of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide?
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 664468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).