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

C17H15FN6O2 — CID 67886636

IUPAC7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(C4CCOC4)nn3)c12
InChIInChI=1S/C17H15FN6O2/c1-22-16-15(24-7-13(20-21-24)10-4-5-26-8-10)19-9-23(16)14-3-2-11(18)6-12(14)17(22)25/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyYXLXNSNWNMLVNY-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.41
Rot. Bonds2

About 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one

7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 67886636) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
PubChem CID67886636
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(C4CCOC4)nn3)c12
InChIInChI=1S/C17H15FN6O2/c1-22-16-15(24-7-13(20-21-24)10-4-5-26-8-10)19-9-23(16)14-3-2-11(18)6-12(14)17(22)25/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyYXLXNSNWNMLVNY-UHFFFAOYSA-N
XLogP1.41
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (CID 67886636) is 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(C4CCOC4)nn3)c12.
What is the InChIKey of 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is YXLXNSNWNMLVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-22-16-15(24-7-13(20-21-24)10-4-5-26-8-10)19-9-23(16)14-3-2-11(18)6-12(14)17(22)25/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 354.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-3-[4-(oxolan-3-yl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67886636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).