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

C18H18N4O2S — CID 126949266

IUPAC3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1ncsc1C(=O)N1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H18N4O2S/c1-11-15(25-10-19-11)18(24)22-9-5-8-14(22)16-20-13-7-4-3-6-12(13)17(23)21(16)2/h3-4,6-7,10,14H,5,8-9H2,1-2H3
InChIKeyONXTWWRJNLDLMJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.68
Rot. Bonds2

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

3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949266) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949266
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1ncsc1C(=O)N1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H18N4O2S/c1-11-15(25-10-19-11)18(24)22-9-5-8-14(22)16-20-13-7-4-3-6-12(13)17(23)21(16)2/h3-4,6-7,10,14H,5,8-9H2,1-2H3
InChIKeyONXTWWRJNLDLMJ-UHFFFAOYSA-N
XLogP2.68
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834547
3-methyl-2-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949394
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629556
2-[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949257
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
3-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126949321
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949266) is 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is Cc1ncsc1C(=O)N1CCCC1c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is ONXTWWRJNLDLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-15(25-10-19-11)18(24)22-9-5-8-14(22)16-20-13-7-4-3-6-12(13)17(23)21(16)2/h3-4,6-7,10,14H,5,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 354.44 g/mol, XLogP of 2.68, 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-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).