8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine

C10H7ClN4 — CID 50877641

IUPAC8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine
SMILESNc1n[nH]c2c1cnc1ccc(Cl)cc12
InChIInChI=1S/C10H7ClN4/c11-5-1-2-8-6(3-5)9-7(4-13-8)10(12)15-14-9/h1-4H,(H3,12,14,15)
InChIKeyRXBUOOREQRTOJY-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.35
Rot. Bonds

About 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine

8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine (PubChem CID 50877641) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine.

Molecular Properties

Compound Name8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine
PubChem CID50877641
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine
SMILESNc1n[nH]c2c1cnc1ccc(Cl)cc12
InChIInChI=1S/C10H7ClN4/c11-5-1-2-8-6(3-5)9-7(4-13-8)10(12)15-14-9/h1-4H,(H3,12,14,15)
InChIKeyRXBUOOREQRTOJY-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine?
The IUPAC name of 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine (CID 50877641) is 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine.
What is the SMILES notation for 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine?
The canonical SMILES for 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine is Nc1n[nH]c2c1cnc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine?
The InChIKey is RXBUOOREQRTOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-5-1-2-8-6(3-5)9-7(4-13-8)10(12)15-14-9/h1-4H,(H3,12,14,15).
What are the key properties of 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine?
8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine has a molecular weight of 218.65 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1H-pyrazolo[4,3-c]quinolin-3-amine is sourced from PubChem (CID 50877641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).