3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

C18H19N5O — CID 126949394

IUPAC3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1nccnc1N1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H19N5O/c1-12-16(20-10-9-19-12)23-11-5-8-15(23)17-21-14-7-4-3-6-13(14)18(24)22(17)2/h3-4,6-7,9-10,15H,5,8,11H2,1-2H3
InChIKeyVLRRYMSRMGBOGJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds2

About 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one

3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949394) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949394
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1nccnc1N1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H19N5O/c1-12-16(20-10-9-19-12)23-11-5-8-15(23)17-21-14-7-4-3-6-13(14)18(24)22(17)2/h3-4,6-7,9-10,15H,5,8,11H2,1-2H3
InChIKeyVLRRYMSRMGBOGJ-UHFFFAOYSA-N
XLogP2.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126949321
2-[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949621
3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-methyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949567
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-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949266
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-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949394) is 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is Cc1nccnc1N1CCCC1c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is VLRRYMSRMGBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-16(20-10-9-19-12)23-11-5-8-15(23)17-21-14-7-4-3-6-13(14)18(24)22(17)2/h3-4,6-7,9-10,15H,5,8,11H2,1-2H3.
What are the key properties of 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).