N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride

C14H11ClFN3 — CID 2792409

IUPACN-(4-fluorophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H10FN3.ClH/c15-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14;/h1-9H,(H,16,17,18);1H
InChIKeyKUKDIYPUDSZUPD-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.93
Rot. Bonds2

About N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride

N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride (PubChem CID 2792409) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)quinazolin-4-amine;hydrochloride
PubChem CID2792409
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC NameN-(4-fluorophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C14H10FN3.ClH/c15-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14;/h1-9H,(H,16,17,18);1H
InChIKeyKUKDIYPUDSZUPD-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride (CID 2792409) is N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride is Cl.Fc1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is KUKDIYPUDSZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3.ClH/c15-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)16-9-17-14;/h1-9H,(H,16,17,18);1H.
What are the key properties of N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride?
N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 275.71 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2792409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).