1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone

C20H18F2N4O — CID 25133124

IUPAC1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1
InChIInChI=1S/C20H18F2N4O/c1-13(27)25-8-10-26(11-9-25)20-15-4-2-3-5-18(15)23-19(24-20)14-6-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3
InChIKeySUPSBTULFDNXCJ-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.24
Rot. Bonds2

About 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone (PubChem CID 25133124) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
PubChem CID25133124
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1
InChIInChI=1S/C20H18F2N4O/c1-13(27)25-8-10-26(11-9-25)20-15-4-2-3-5-18(15)23-19(24-20)14-6-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3
InChIKeySUPSBTULFDNXCJ-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone (CID 25133124) is 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(-c3ccc(F)c(F)c3)nc3ccccc23)CC1.
What is the InChIKey of 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is SUPSBTULFDNXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-13(27)25-8-10-26(11-9-25)20-15-4-2-3-5-18(15)23-19(24-20)14-6-7-16(21)17(22)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 368.39 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25133124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).