7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione

C21H22F2N4O2 — CID 168900151

IUPAC7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(F)cc4F)CC3)ccc2c1=O
InChIInChI=1S/C21H22F2N4O2/c1-2-27-20(28)16-5-3-14(11-18(16)24-21(27)29)13-25-7-9-26(10-8-25)19-6-4-15(22)12-17(19)23/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,29)
InChIKeyCRJZTTHNCQTZMO-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.31
Rot. Bonds4

About 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione

7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione (PubChem CID 168900151) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
PubChem CID168900151
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(F)cc4F)CC3)ccc2c1=O
InChIInChI=1S/C21H22F2N4O2/c1-2-27-20(28)16-5-3-14(11-18(16)24-21(27)29)13-25-7-9-26(10-8-25)19-6-4-15(22)12-17(19)23/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,29)
InChIKeyCRJZTTHNCQTZMO-UHFFFAOYSA-N
XLogP2.31
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

Ketanserin
CID 3822
Altanserin
CID 3033677
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
Glycosmicine
CID 11788
Diacylglycerol Kinase Inhibitor Ii
CID 657356
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
Nsc158383
CID 292556
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione (CID 168900151) is 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2cc(CN3CCN(c4ccc(F)cc4F)CC3)ccc2c1=O.
What is the InChIKey of 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione?
The InChIKey is CRJZTTHNCQTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-2-27-20(28)16-5-3-14(11-18(16)24-21(27)29)13-25-7-9-26(10-8-25)19-6-4-15(22)12-17(19)23/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,29).
What are the key properties of 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione?
7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione has a molecular weight of 400.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 168900151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).