3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

C20H24N6O2 — CID 126899083

IUPAC3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4cc(C)ncn4)CC3)ccc2c1=O
InChIInChI=1S/C20H24N6O2/c1-15-11-19(22-13-21-15)25-7-5-24(6-8-25)16-3-4-17-18(12-16)23-14-26(20(17)27)9-10-28-2/h3-4,11-14H,5-10H2,1-2H3
InChIKeyCRJXXDFJOCOBEY-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.47
Rot. Bonds5

About 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126899083) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126899083
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(c4cc(C)ncn4)CC3)ccc2c1=O
InChIInChI=1S/C20H24N6O2/c1-15-11-19(22-13-21-15)25-7-5-24(6-8-25)16-3-4-17-18(12-16)23-14-26(20(17)27)9-10-28-2/h3-4,11-14H,5-10H2,1-2H3
InChIKeyCRJXXDFJOCOBEY-UHFFFAOYSA-N
XLogP1.47
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
3-(2-methoxyethyl)-7-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244
3-(2-methoxyethyl)-7-[4-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
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-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126899062
2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 126899287
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (CID 126899083) is 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(c4cc(C)ncn4)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is CRJXXDFJOCOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-15-11-19(22-13-21-15)25-7-5-24(6-8-25)16-3-4-17-18(12-16)23-14-26(20(17)27)9-10-28-2/h3-4,11-14H,5-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).