3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one

C21H27N5O4 — CID 126899009

IUPAC3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)C4CCNC(=O)C4)CC3)ccc2c1=O
InChIInChI=1S/C21H27N5O4/c1-30-11-10-26-14-23-18-13-16(2-3-17(18)21(26)29)24-6-8-25(9-7-24)20(28)15-4-5-22-19(27)12-15/h2-3,13-15H,4-12H2,1H3,(H,22,27)
InChIKeyTTXWXSKECKTNIL-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.22
Rot. Bonds5

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

3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126899009) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126899009
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)C4CCNC(=O)C4)CC3)ccc2c1=O
InChIInChI=1S/C21H27N5O4/c1-30-11-10-26-14-23-18-13-16(2-3-17(18)21(26)29)24-6-8-25(9-7-24)20(28)15-4-5-22-19(27)12-15/h2-3,13-15H,4-12H2,1H3,(H,22,27)
InChIKeyTTXWXSKECKTNIL-UHFFFAOYSA-N
XLogP0.22
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126898994
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
3-(2-hydroxyethyl)-7-[4-(4-methylcyclohexanecarbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898597
3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126898950
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
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-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244
3-(2-methoxyethyl)-7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126899145

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one (CID 126899009) is 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(C(=O)C4CCNC(=O)C4)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is TTXWXSKECKTNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-30-11-10-26-14-23-18-13-16(2-3-17(18)21(26)29)24-6-8-25(9-7-24)20(28)15-4-5-22-19(27)12-15/h2-3,13-15H,4-12H2,1H3,(H,22,27).
What are the key properties of 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 413.48 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126899009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).