3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C22H21FN4O3 — CID 55847594

IUPAC3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1F
InChIInChI=1S/C22H21FN4O3/c1-15-6-7-16(12-18(15)23)21(29)26-10-8-25(9-11-26)20(28)13-27-14-24-19-5-3-2-4-17(19)22(27)30/h2-7,12,14H,8-11,13H2,1H3
InChIKeyARACSXJRHNFMSY-UHFFFAOYSA-N
MW408.43 g/mol
LogP1.83
Rot. Bonds3

About 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 55847594) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID55847594
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1F
InChIInChI=1S/C22H21FN4O3/c1-15-6-7-16(12-18(15)23)21(29)26-10-8-25(9-11-26)20(28)13-27-14-24-19-5-3-2-4-17(19)22(27)30/h2-7,12,14H,8-11,13H2,1H3
InChIKeyARACSXJRHNFMSY-UHFFFAOYSA-N
XLogP1.83
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
3-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one
CID 8642405
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60505688
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
2-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one
CID 55878650
3-[2-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]-2-oxoethyl]quinazolin-4-one
CID 110164483
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42907612
7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 39005053

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 55847594) is 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1ccc(C(=O)N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1F.
What is the InChIKey of 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is ARACSXJRHNFMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-15-6-7-16(12-18(15)23)21(29)26-10-8-25(9-11-26)20(28)13-27-14-24-19-5-3-2-4-17(19)22(27)30/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 408.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 55847594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).