9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine

C16H21N5 — CID 68869782

IUPAC9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCn1cc2c(n1)c(N)nc1cccc(CCCCN)c12
InChIInChI=1S/C16H21N5/c1-2-21-10-12-14-11(6-3-4-9-17)7-5-8-13(14)19-16(18)15(12)20-21/h5,7-8,10H,2-4,6,9,17H2,1H3,(H2,18,19)
InChIKeyCIDRVFQRMJURBQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.47
Rot. Bonds5

About 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine

9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 68869782) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID68869782
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine
SMILESCCn1cc2c(n1)c(N)nc1cccc(CCCCN)c12
InChIInChI=1S/C16H21N5/c1-2-21-10-12-14-11(6-3-4-9-17)7-5-8-13(14)19-16(18)15(12)20-21/h5,7-8,10H,2-4,6,9,17H2,1H3,(H2,18,19)
InChIKeyCIDRVFQRMJURBQ-UHFFFAOYSA-N
XLogP2.47
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine (CID 68869782) is 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine is CCn1cc2c(n1)c(N)nc1cccc(CCCCN)c12.
What is the InChIKey of 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is CIDRVFQRMJURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-21-10-12-14-11(6-3-4-9-17)7-5-8-13(14)19-16(18)15(12)20-21/h5,7-8,10H,2-4,6,9,17H2,1H3,(H2,18,19).
What are the key properties of 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine?
9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminobutyl)-2-ethylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 68869782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).