1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C26H22ClFN4O — CID 24720193

IUPAC1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H22ClFN4O/c27-20-8-11-22-23(17-20)29-25(19-4-2-1-3-5-19)30-26(22)32-14-12-31(13-15-32)24(33)16-18-6-9-21(28)10-7-18/h1-11,17H,12-16H2
InChIKeyMOVPOIJQDIYSMR-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.98
Rot. Bonds4

About 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 24720193) has the molecular formula C26H22ClFN4O and a molecular weight of 460.94 g/mol. Its IUPAC name is 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID24720193
Molecular FormulaC26H22ClFN4O
Molecular Weight460.94 g/mol
Exact Mass460.15
IUPAC Name1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H22ClFN4O/c27-20-8-11-22-23(17-20)29-25(19-4-2-1-3-5-19)30-26(22)32-14-12-31(13-15-32)24(33)16-18-6-9-21(28)10-7-18/h1-11,17H,12-16H2
InChIKeyMOVPOIJQDIYSMR-UHFFFAOYSA-N
XLogP4.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
CID 46133835
2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 46093552
2-(4-fluorophenyl)-1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 7225721
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
CID 25133124
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
7-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)quinazoline
CID 42809161
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
[4-[7-chloro-2-(2-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46133830
3-(4-chlorophenyl)-1-[4-(2-chloroquinazolin-4-yl)piperazin-1-yl]propan-1-one
CID 90988226
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133328448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 24720193) is 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is MOVPOIJQDIYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O/c27-20-8-11-22-23(17-20)29-25(19-4-2-1-3-5-19)30-26(22)32-14-12-31(13-15-32)24(33)16-18-6-9-21(28)10-7-18/h1-11,17H,12-16H2.
What are the key properties of 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 460.94 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 24720193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).