2-butylpyrazolo[3,4-c]quinolin-4-amine

C14H16N4 — CID 66958698

IUPAC2-butylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyBRUVQRFMAMBUDN-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.97
Rot. Bonds3

About 2-butylpyrazolo[3,4-c]quinolin-4-amine

2-butylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 66958698) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-butylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID66958698
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-butylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCCCn1cc2c(n1)c(N)nc1ccccc12
InChIInChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyBRUVQRFMAMBUDN-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-butylpyrazolo[3,4-c]quinolin-4-amine (CID 66958698) is 2-butylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-butylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-butylpyrazolo[3,4-c]quinolin-4-amine is CCCCn1cc2c(n1)c(N)nc1ccccc12.
What is the InChIKey of 2-butylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is BRUVQRFMAMBUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)16-14(15)13(11)17-18/h4-7,9H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 2-butylpyrazolo[3,4-c]quinolin-4-amine?
2-butylpyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 66958698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).