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

C21H26N6O2 — CID 126899145

IUPAC3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cnc(C)nc4)CC3)ccc2c1=O
InChIInChI=1S/C21H26N6O2/c1-16-22-12-17(13-23-16)14-25-5-7-26(8-6-25)18-3-4-19-20(11-18)24-15-27(21(19)28)9-10-29-2/h3-4,11-13,15H,5-10,14H2,1-2H3
InChIKeyLREGNHGYSGFEHV-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.46
Rot. Bonds6

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

3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126899145) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126899145
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cnc(C)nc4)CC3)ccc2c1=O
InChIInChI=1S/C21H26N6O2/c1-16-22-12-17(13-23-16)14-25-5-7-26(8-6-25)18-3-4-19-20(11-18)24-15-27(21(19)28)9-10-29-2/h3-4,11-13,15H,5-10,14H2,1-2H3
InChIKeyLREGNHGYSGFEHV-UHFFFAOYSA-N
XLogP1.46
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
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-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899134
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
7-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126899062
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
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-[(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-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126899145) is 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(Cc4cnc(C)nc4)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is LREGNHGYSGFEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-16-22-12-17(13-23-16)14-25-5-7-26(8-6-25)18-3-4-19-20(11-18)24-15-27(21(19)28)9-10-29-2/h3-4,11-13,15H,5-10,14H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 394.48 g/mol, XLogP of 1.46, 6 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-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).