2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine

C15H18N4 — CID 68867832

IUPAC2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(N)nc1cccc(C)c12
InChIInChI=1S/C15H18N4/c1-3-4-8-19-9-11-13-10(2)6-5-7-12(13)17-15(16)14(11)18-19/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyFBUCHKOLUBHRJQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.28
Rot. Bonds3

About 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine

2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 68867832) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID68867832
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(N)nc1cccc(C)c12
InChIInChI=1S/C15H18N4/c1-3-4-8-19-9-11-13-10(2)6-5-7-12(13)17-15(16)14(11)18-19/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17)
InChIKeyFBUCHKOLUBHRJQ-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine (CID 68867832) is 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine is CCCCn1cc2c(n1)c(N)nc1cccc(C)c12.
What is the InChIKey of 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is FBUCHKOLUBHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-4-8-19-9-11-13-10(2)6-5-7-12(13)17-15(16)14(11)18-19/h5-7,9H,3-4,8H2,1-2H3,(H2,16,17).
What are the key properties of 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine?
2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-9-methylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 68867832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).