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

C18H12ClFN4 — CID 70660131

IUPAC2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C18H12ClFN4/c19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-10H,(H,21,22)(H,23,24)
InChIKeyVMVTWUQWNHEATD-UHFFFAOYSA-N
MW338.77 g/mol
LogP5.16
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine (PubChem CID 70660131) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine
PubChem CID70660131
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C18H12ClFN4/c19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-10H,(H,21,22)(H,23,24)
InChIKeyVMVTWUQWNHEATD-UHFFFAOYSA-N
XLogP5.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.77
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine (CID 70660131) is 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2cn[nH]c2)c2ccccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine?
The InChIKey is VMVTWUQWNHEATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c19-11-5-6-15(20)14(7-11)18-8-17(23-12-9-21-22-10-12)13-3-1-2-4-16(13)24-18/h1-10H,(H,21,22)(H,23,24).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine has a molecular weight of 338.77 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(1H-pyrazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 70660131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).