3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one

C17H18N4OS — CID 126949508

IUPAC3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(C2CCCN2Cc2cnsc2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4OS/c1-20-16(19-14-6-3-2-5-13(14)17(20)22)15-7-4-8-21(15)10-12-9-18-23-11-12/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3
InChIKeyPAOZQUSSCQHODU-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.73
Rot. Bonds3

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

3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949508) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949508
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1c(C2CCCN2Cc2cnsc2)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4OS/c1-20-16(19-14-6-3-2-5-13(14)17(20)22)15-7-4-8-21(15)10-12-9-18-23-11-12/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3
InChIKeyPAOZQUSSCQHODU-UHFFFAOYSA-N
XLogP2.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
3-methyl-2-[1-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949612
3-methyl-2-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949480
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898
3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949500
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949508) is 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is Cn1c(C2CCCN2Cc2cnsc2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is PAOZQUSSCQHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20-16(19-14-6-3-2-5-13(14)17(20)22)15-7-4-8-21(15)10-12-9-18-23-11-12/h2-3,5-6,9,11,15H,4,7-8,10H2,1H3.
What are the key properties of 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 326.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).