3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one

C16H17N5O2 — CID 126949567

IUPAC3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1noc(N2CCCC2c2nc3ccccc3c(=O)n2C)n1
InChIInChI=1S/C16H17N5O2/c1-10-17-16(23-19-10)21-9-5-8-13(21)14-18-12-7-4-3-6-11(12)15(22)20(14)2/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyYABGMHYDZGDLCP-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.97
Rot. Bonds2

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

3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949567) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949567
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1noc(N2CCCC2c2nc3ccccc3c(=O)n2C)n1
InChIInChI=1S/C16H17N5O2/c1-10-17-16(23-19-10)21-9-5-8-13(21)14-18-12-7-4-3-6-11(12)15(22)20(14)2/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyYABGMHYDZGDLCP-UHFFFAOYSA-N
XLogP1.97
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-(2-hydroxyethyl)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126951032
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949327
3-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126949321
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
2-[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949567) is 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one is Cc1noc(N2CCCC2c2nc3ccccc3c(=O)n2C)n1.
What is the InChIKey of 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is YABGMHYDZGDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-17-16(23-19-10)21-9-5-8-13(21)14-18-12-7-4-3-6-11(12)15(22)20(14)2/h3-4,6-7,13H,5,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 311.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).