4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine

C12H8ClFN4 — CID 154649576

IUPAC4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)c(F)c2n1
InChIInChI=1S/C12H8ClFN4/c13-8-5-10(15)17-12-6(8)1-2-7(11(12)14)9-3-4-16-18-9/h1-5H,(H2,15,17)(H,16,18)
InChIKeyCHLWGWGADMJFMS-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.00
Rot. Bonds1

About 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine

4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine (PubChem CID 154649576) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine
PubChem CID154649576
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccn[nH]3)c(F)c2n1
InChIInChI=1S/C12H8ClFN4/c13-8-5-10(15)17-12-6(8)1-2-7(11(12)14)9-3-4-16-18-9/h1-5H,(H2,15,17)(H,16,18)
InChIKeyCHLWGWGADMJFMS-UHFFFAOYSA-N
XLogP3.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The IUPAC name of 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine (CID 154649576) is 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine.
What is the SMILES notation for 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The canonical SMILES for 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine is Nc1cc(Cl)c2ccc(-c3ccn[nH]3)c(F)c2n1.
What is the InChIKey of 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
The InChIKey is CHLWGWGADMJFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-8-5-10(15)17-12-6(8)1-2-7(11(12)14)9-3-4-16-18-9/h1-5H,(H2,15,17)(H,16,18).
What are the key properties of 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine?
4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine has a molecular weight of 262.68 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-7-(1H-pyrazol-5-yl)quinolin-2-amine is sourced from PubChem (CID 154649576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).