4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline

C19H19FN4 — CID 9463976

IUPAC4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
SMILESFc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H19FN4/c20-17-7-3-1-5-15(17)13-23-9-11-24(12-10-23)19-16-6-2-4-8-18(16)21-14-22-19/h1-8,14H,9-13H2
InChIKeyTVNKLXFTUYXUDM-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.09
Rot. Bonds3

About 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline

4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline (PubChem CID 9463976) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
PubChem CID9463976
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
SMILESFc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C19H19FN4/c20-17-7-3-1-5-15(17)13-23-9-11-24(12-10-23)19-16-6-2-4-8-18(16)21-14-22-19/h1-8,14H,9-13H2
InChIKeyTVNKLXFTUYXUDM-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline (CID 9463976) is 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline is Fc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is TVNKLXFTUYXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-17-7-3-1-5-15(17)13-23-9-11-24(12-10-23)19-16-6-2-4-8-18(16)21-14-22-19/h1-8,14H,9-13H2.
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline?
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 322.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 9463976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).