2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H14FN5 — CID 70687546

IUPAC2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyCPRAZTHDRGGAFK-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 70687546) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID70687546
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyCPRAZTHDRGGAFK-UHFFFAOYSA-N
XLogP4.21
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 70687546) is 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is CPRAZTHDRGGAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 319.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 70687546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).