4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine

C11H9ClN4 — CID 10443967

IUPAC4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine
SMILESCn1nc(N)c2c(Cl)nc3ccccc3c21
InChIInChI=1S/C11H9ClN4/c1-16-9-6-4-2-3-5-7(6)14-10(12)8(9)11(13)15-16/h2-5H,1H3,(H2,13,15)
InChIKeySJQSOTIUYXENEA-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.36
Rot. Bonds

About 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine

4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine (PubChem CID 10443967) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine.

Molecular Properties

Compound Name4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine
PubChem CID10443967
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine
SMILESCn1nc(N)c2c(Cl)nc3ccccc3c21
InChIInChI=1S/C11H9ClN4/c1-16-9-6-4-2-3-5-7(6)14-10(12)8(9)11(13)15-16/h2-5H,1H3,(H2,13,15)
InChIKeySJQSOTIUYXENEA-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine?
The IUPAC name of 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine (CID 10443967) is 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine.
What is the SMILES notation for 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine?
The canonical SMILES for 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine is Cn1nc(N)c2c(Cl)nc3ccccc3c21.
What is the InChIKey of 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine?
The InChIKey is SJQSOTIUYXENEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-16-9-6-4-2-3-5-7(6)14-10(12)8(9)11(13)15-16/h2-5H,1H3,(H2,13,15).
What are the key properties of 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine?
4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine has a molecular weight of 232.67 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazolo[4,5-c]quinolin-3-amine is sourced from PubChem (CID 10443967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).