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

C16H18N4O — CID 663685

IUPACN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C16H18N4O/c1-4-6-13(21)17-15-12-9-11-8-5-7-10(2)14(11)18-16(12)20(3)19-15/h5,7-9H,4,6H2,1-3H3,(H,17,19,21)
InChIKeyIKGBPNGSYYHJCN-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.17
Rot. Bonds3

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

N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide (PubChem CID 663685) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide
PubChem CID663685
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
InChIInChI=1S/C16H18N4O/c1-4-6-13(21)17-15-12-9-11-8-5-7-10(2)14(11)18-16(12)20(3)19-15/h5,7-9H,4,6H2,1-3H3,(H,17,19,21)
InChIKeyIKGBPNGSYYHJCN-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.17
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)butanamide?
The IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide (CID 663685) is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide.
What is the SMILES notation for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide?
The canonical SMILES for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide is CCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12.
What is the InChIKey of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide?
The InChIKey is IKGBPNGSYYHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-6-13(21)17-15-12-9-11-8-5-7-10(2)14(11)18-16(12)20(3)19-15/h5,7-9H,4,6H2,1-3H3,(H,17,19,21).
What are the key properties of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide?
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)butanamide has a molecular weight of 282.35 g/mol, XLogP of 3.17, 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)butanamide is sourced from PubChem (CID 663685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).