3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one

C18H22N6O — CID 129492206

IUPAC3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
SMILESCc1nc([C@H]2CCCCN2Cc2nc3ccccc3c(=O)n2C)n[nH]1
InChIInChI=1S/C18H22N6O/c1-12-19-17(22-21-12)15-9-5-6-10-24(15)11-16-20-14-8-4-3-7-13(14)18(25)23(16)2/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,19,21,22)/t15-/m1/s1
InChIKeyABQVESUJWMWZGH-OAHLLOKOSA-N
MW338.42 g/mol
LogP2.09
Rot. Bonds3

About 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one

3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one (PubChem CID 129492206) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
PubChem CID129492206
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one
SMILESCc1nc([C@H]2CCCCN2Cc2nc3ccccc3c(=O)n2C)n[nH]1
InChIInChI=1S/C18H22N6O/c1-12-19-17(22-21-12)15-9-5-6-10-24(15)11-16-20-14-8-4-3-7-13(14)18(25)23(16)2/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,19,21,22)/t15-/m1/s1
InChIKeyABQVESUJWMWZGH-OAHLLOKOSA-N
XLogP2.09
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

2-[[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-3-methylquinazolin-4-one
CID 128992171
2-[[(4aR,7aS)-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]methyl]-3-methylquinazolin-4-one
CID 120684212
N-ethyl-2-[1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]piperidin-2-yl]acetamide
CID 126798445
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 128969620
(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 129492253
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
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-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one (CID 129492206) is 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one is Cc1nc([C@H]2CCCCN2Cc2nc3ccccc3c(=O)n2C)n[nH]1.
What is the InChIKey of 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one?
The InChIKey is ABQVESUJWMWZGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-19-17(22-21-12)15-9-5-6-10-24(15)11-16-20-14-8-4-3-7-13(14)18(25)23(16)2/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,19,21,22)/t15-/m1/s1.
What are the key properties of 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one?
3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one has a molecular weight of 338.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 129492206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).