N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine

C20H21F2N5 — CID 164610643

IUPACN-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCNCC2)nc2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H21F2N5/c1-13(18-15(21)6-4-7-16(18)22)24-19-14-5-2-3-8-17(14)25-20(26-19)27-11-9-23-10-12-27/h2-8,13,23H,9-12H2,1H3,(H,24,25,26)
InChIKeyYYNDAQXXVFISCY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine

N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 164610643) has the molecular formula C20H21F2N5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine
PubChem CID164610643
Molecular FormulaC20H21F2N5
Molecular Weight369.42 g/mol
Exact Mass369.18
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCNCC2)nc2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H21F2N5/c1-13(18-15(21)6-4-7-16(18)22)24-19-14-5-2-3-8-17(14)25-20(26-19)27-11-9-23-10-12-27/h2-8,13,23H,9-12H2,1H3,(H,24,25,26)
InChIKeyYYNDAQXXVFISCY-UHFFFAOYSA-N
XLogP3.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine (CID 164610643) is N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine is CC(Nc1nc(N2CCNCC2)nc2ccccc12)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is YYNDAQXXVFISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5/c1-13(18-15(21)6-4-7-16(18)22)24-19-14-5-2-3-8-17(14)25-20(26-19)27-11-9-23-10-12-27/h2-8,13,23H,9-12H2,1H3,(H,24,25,26).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine?
N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 369.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 164610643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).