4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one

C18H18N6O2 — CID 67886126

IUPAC4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12
InChIInChI=1S/C18H18N6O2/c1-22-17-16(24-10-12(20-21-24)9-13-5-4-8-26-13)19-11-23(17)15-7-3-2-6-14(15)18(22)25/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3
InChIKeyHFYYRZNXPYPGGX-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one

4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 67886126) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
PubChem CID67886126
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12
InChIInChI=1S/C18H18N6O2/c1-22-17-16(24-10-12(20-21-24)9-13-5-4-8-26-13)19-11-23(17)15-7-3-2-6-14(15)18(22)25/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3
InChIKeyHFYYRZNXPYPGGX-UHFFFAOYSA-N
XLogP1.49
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67887072
5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887298
3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886590
3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886911
3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67889411
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886900
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886105
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886636
methyl 1-oxo-2-(oxolan-2-ylmethyl)isoquinoline-4-carboxylate
CID 177224111
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (CID 67886126) is 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12.
What is the InChIKey of 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is HFYYRZNXPYPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-22-17-16(24-10-12(20-21-24)9-13-5-4-8-26-13)19-11-23(17)15-7-3-2-6-14(15)18(22)25/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3.
What are the key properties of 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 350.38 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67886126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).