4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline

C19H17ClF2N4 — CID 55855492

IUPAC4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
SMILESFc1cccc(Cl)c1CN1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H17ClF2N4/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)19-18-16(22)5-2-6-17(18)23-12-24-19/h1-6,12H,7-11H2
InChIKeyKOGSQPHBTUCFTG-UHFFFAOYSA-N
MW374.82 g/mol
LogP3.88
Rot. Bonds3

About 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline

4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline (PubChem CID 55855492) has the molecular formula C19H17ClF2N4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
PubChem CID55855492
Molecular FormulaC19H17ClF2N4
Molecular Weight374.82 g/mol
Exact Mass374.11
IUPAC Name4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
SMILESFc1cccc(Cl)c1CN1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H17ClF2N4/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)19-18-16(22)5-2-6-17(18)23-12-24-19/h1-6,12H,7-11H2
InChIKeyKOGSQPHBTUCFTG-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline?
The IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline (CID 55855492) is 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline.
What is the SMILES notation for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline?
The canonical SMILES for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline is Fc1cccc(Cl)c1CN1CCN(c2ncnc3cccc(F)c23)CC1.
What is the InChIKey of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline?
The InChIKey is KOGSQPHBTUCFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4/c20-14-3-1-4-15(21)13(14)11-25-7-9-26(10-8-25)19-18-16(22)5-2-6-17(18)23-12-24-19/h1-6,12H,7-11H2.
What are the key properties of 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline?
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline has a molecular weight of 374.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline is sourced from PubChem (CID 55855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).