N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine

C18H18FN5 — CID 122187398

IUPACN-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESFc1ccccc1Nc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C18H18FN5/c19-14-6-2-4-8-16(14)21-17-13-5-1-3-7-15(13)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)
InChIKeyRUFUASLXIKBFNG-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.92
Rot. Bonds3

About N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine

N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 122187398) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine
PubChem CID122187398
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC NameN-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine
SMILESFc1ccccc1Nc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C18H18FN5/c19-14-6-2-4-8-16(14)21-17-13-5-1-3-7-15(13)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23)
InChIKeyRUFUASLXIKBFNG-UHFFFAOYSA-N
XLogP2.92
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine (CID 122187398) is N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine is Fc1ccccc1Nc1nc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is RUFUASLXIKBFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-14-6-2-4-8-16(14)21-17-13-5-1-3-7-15(13)22-18(23-17)24-11-9-20-10-12-24/h1-8,20H,9-12H2,(H,21,22,23).
What are the key properties of N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine?
N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 323.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 122187398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).