4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine

C12H9ClN4 — CID 137409041

IUPAC4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C12H9ClN4/c13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h1-6H,(H2,14,16)(H,15,17)
InChIKeyXTOJYWLBRNEAAG-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine

4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 137409041) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID137409041
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C12H9ClN4/c13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h1-6H,(H2,14,16)(H,15,17)
InChIKeyXTOJYWLBRNEAAG-UHFFFAOYSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine (CID 137409041) is 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1cc(Cl)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is XTOJYWLBRNEAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-6-12(14)16-11-5-7(1-2-8(9)11)10-3-4-15-17-10/h1-6H,(H2,14,16)(H,15,17).
What are the key properties of 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 244.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 137409041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).