3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

C24H25N5O2 — CID 126951223

IUPAC3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nc3ccccc3nc2C)nc2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-16-22(27-20-11-6-5-10-19(20)25-16)28-13-7-12-21(28)23-26-18-9-4-3-8-17(18)24(30)29(23)14-15-31-2/h3-6,8-11,21H,7,12-15H2,1-2H3
InChIKeyIZIKUTJBMHUDID-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.64
Rot. Bonds5

About 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951223) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951223
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2c2nc3ccccc3nc2C)nc2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-16-22(27-20-11-6-5-10-19(20)25-16)28-13-7-12-21(28)23-26-18-9-4-3-8-17(18)24(30)29(23)14-15-31-2/h3-6,8-11,21H,7,12-15H2,1-2H3
InChIKeyIZIKUTJBMHUDID-UHFFFAOYSA-N
XLogP3.64
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-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

2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
2-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951348
3-(2-methoxyethyl)-2-[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951198
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
2-[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951238
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951121
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951293
3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951128
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126951223) is 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2c2nc3ccccc3nc2C)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is IZIKUTJBMHUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-22(27-20-11-6-5-10-19(20)25-16)28-13-7-12-21(28)23-26-18-9-4-3-8-17(18)24(30)29(23)14-15-31-2/h3-6,8-11,21H,7,12-15H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 415.50 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).