3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one

C21H25N5O2 — CID 126899058

IUPAC3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cccnc4)CC3)ccc2c1=O
InChIInChI=1S/C21H25N5O2/c1-28-12-11-26-16-23-20-13-18(4-5-19(20)21(26)27)25-9-7-24(8-10-25)15-17-3-2-6-22-14-17/h2-6,13-14,16H,7-12,15H2,1H3
InChIKeyKTTXKGWGDVEQOS-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.76
Rot. Bonds6

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

3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126899058) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126899058
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(Cc4cccnc4)CC3)ccc2c1=O
InChIInChI=1S/C21H25N5O2/c1-28-12-11-26-16-23-20-13-18(4-5-19(20)21(26)27)25-9-7-24(8-10-25)15-17-3-2-6-22-14-17/h2-6,13-14,16H,7-12,15H2,1H3
InChIKeyKTTXKGWGDVEQOS-UHFFFAOYSA-N
XLogP1.76
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145
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
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
3-(2-methoxyethyl)-7-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244
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
3-(2-methoxyethyl)-7-[4-(oxan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899210
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one (CID 126899058) is 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(Cc4cccnc4)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is KTTXKGWGDVEQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-12-11-26-16-23-20-13-18(4-5-19(20)21(26)27)25-9-7-24(8-10-25)15-17-3-2-6-22-14-17/h2-6,13-14,16H,7-12,15H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).