3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

C21H25N5O3 — CID 126951271

IUPAC3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2cnc(=O)n(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H25N5O3/c1-24-13-15(12-22-21(24)28)14-25-9-5-8-18(25)19-23-17-7-4-3-6-16(17)20(27)26(19)10-11-29-2/h3-4,6-7,12-13,18H,5,8-11,14H2,1-2H3
InChIKeyLLJLXBVSLRLMJF-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.47
Rot. Bonds6

About 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one

3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126951271) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126951271
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCOCCn1c(C2CCCN2Cc2cnc(=O)n(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H25N5O3/c1-24-13-15(12-22-21(24)28)14-25-9-5-8-18(25)19-23-17-7-4-3-6-16(17)20(27)26(19)10-11-29-2/h3-4,6-7,12-13,18H,5,8-11,14H2,1-2H3
InChIKeyLLJLXBVSLRLMJF-UHFFFAOYSA-N
XLogP1.47
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951295
3-(2-methoxyethyl)-2-[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951262
3-(2-methoxyethyl)-2-[1-(pyridazin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951293
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
3-(2-methoxyethyl)-2-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951333
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-(2-methoxyethyl)quinazolin-4-one
CID 126951186
2-(1-isoquinolin-1-ylpyrrolidin-2-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 126951219
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-(2-methoxyethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951387
3-(2-methoxyethyl)-2-[1-(3-methylquinoxalin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951223
2-[1-[(2-cyclopropylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950554

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126951271) is 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is COCCn1c(C2CCCN2Cc2cnc(=O)n(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is LLJLXBVSLRLMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-13-15(12-22-21(24)28)14-25-9-5-8-18(25)19-23-17-7-4-3-6-16(17)20(27)26(19)10-11-29-2/h3-4,6-7,12-13,18H,5,8-11,14H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one?
3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 395.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126951271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).