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

C17H16N6O2 — CID 67887072

IUPAC4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(C4CCCO4)nn3)c12
InChIInChI=1S/C17H16N6O2/c1-21-16-15(23-9-12(19-20-23)14-7-4-8-25-14)18-10-22(16)13-6-3-2-5-11(13)17(21)24/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyZQZYWFGLVHHNMI-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.62
Rot. Bonds2

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

4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 67887072) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
PubChem CID67887072
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2cnc(-n3cc(C4CCCO4)nn3)c12
InChIInChI=1S/C17H16N6O2/c1-21-16-15(23-9-12(19-20-23)14-7-4-8-25-14)18-10-22(16)13-6-3-2-5-11(13)17(21)24/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyZQZYWFGLVHHNMI-UHFFFAOYSA-N
XLogP1.62
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67886911
4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886126
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886082
7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
CID 67886636
3-[4-(2-methylcyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886105
3-[4-(oxolan-2-ylmethyl)triazol-1-yl]-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 67886590
3-[4-(bromomethyl)triazol-1-yl]-7-fluoro-4-methylimidazo[1,5-a]quinazolin-5-one
CID 67889411
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)triazole
CID 167757835
5-(oxolan-2-ylmethyl)-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887298
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886900
3-[4-(1-aminocyclopropyl)triazol-1-yl]-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886659
6-[(2R)-oxolan-2-yl]pyridine-3-carboxamide
CID 135030167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (CID 67887072) is 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2cnc(-n3cc(C4CCCO4)nn3)c12.
What is the InChIKey of 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is ZQZYWFGLVHHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-21-16-15(23-9-12(19-20-23)14-7-4-8-25-14)18-10-22(16)13-6-3-2-5-11(13)17(21)24/h2-3,5-6,9-10,14H,4,7-8H2,1H3.
What are the key properties of 4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
4-methyl-3-[4-(oxolan-2-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 336.36 g/mol, XLogP of 1.62, 2 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-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67887072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).