7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

C22H24F2N4O2 — CID 126899062

IUPAC7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cc(F)ccc4F)CC3)ccc2c1=O
InChIInChI=1S/C22H24F2N4O2/c1-30-11-10-28-15-25-21-13-18(3-4-19(21)22(28)29)27-8-6-26(7-9-27)14-16-12-17(23)2-5-20(16)24/h2-5,12-13,15H,6-11,14H2,1H3
InChIKeyCJRKTWRCDLYSFY-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.64
Rot. Bonds6

About 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one

7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 126899062) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID126899062
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cc(F)ccc4F)CC3)ccc2c1=O
InChIInChI=1S/C22H24F2N4O2/c1-30-11-10-28-15-25-21-13-18(3-4-19(21)22(28)29)27-8-6-26(7-9-27)14-16-12-17(23)2-5-20(16)24/h2-5,12-13,15H,6-11,14H2,1H3
InChIKeyCJRKTWRCDLYSFY-UHFFFAOYSA-N
XLogP2.64
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899130
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-methoxyethyl)-7-[4-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899283
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 126899287

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one (CID 126899062) is 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2cc(N3CCN(Cc4cc(F)ccc4F)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is CJRKTWRCDLYSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-30-11-10-28-15-25-21-13-18(3-4-19(21)22(28)29)27-8-6-26(7-9-27)14-16-12-17(23)2-5-20(16)24/h2-5,12-13,15H,6-11,14H2,1H3.
What are the key properties of 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one?
7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 414.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 126899062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).