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

C22H25N5O4 — CID 126898950

IUPAC3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)c4cccn(C)c4=O)CC3)ccc2c1=O
InChIInChI=1S/C22H25N5O4/c1-24-7-3-4-18(20(24)28)22(30)26-10-8-25(9-11-26)16-5-6-17-19(14-16)23-15-27(21(17)29)12-13-31-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyDUGQSOQYGYQDQO-UHFFFAOYSA-N
MW423.47 g/mol
LogP0.70
Rot. Bonds5

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

3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126898950) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126898950
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCOCCn1cnc2cc(N3CCN(C(=O)c4cccn(C)c4=O)CC3)ccc2c1=O
InChIInChI=1S/C22H25N5O4/c1-24-7-3-4-18(20(24)28)22(30)26-10-8-25(9-11-26)16-5-6-17-19(14-16)23-15-27(21(17)29)12-13-31-2/h3-7,14-15H,8-13H2,1-2H3
InChIKeyDUGQSOQYGYQDQO-UHFFFAOYSA-N
XLogP0.70
TPSA89.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazine-1-carboxamide
CID 126898976
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
3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126899009
3-(2-methoxyethyl)-7-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899096
7-[4-(3,4-dihydro-2H-chromene-2-carbonyl)piperazin-1-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126898994
3-(2-methoxyethyl)-7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126899083
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
3-(2-methoxyethyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126899058
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 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one (CID 126898950) is 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one is COCCn1cnc2cc(N3CCN(C(=O)c4cccn(C)c4=O)CC3)ccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is DUGQSOQYGYQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-24-7-3-4-18(20(24)28)22(30)26-10-8-25(9-11-26)16-5-6-17-19(14-16)23-15-27(21(17)29)12-13-31-2/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one?
3-(2-methoxyethyl)-7-[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 423.47 g/mol, XLogP of 0.70, 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-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).