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

C18H17FN6O2 — CID 67886082

IUPAC7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12
InChIInChI=1S/C18H17FN6O2/c1-23-17-16(25-9-12(21-22-25)8-13-3-2-6-27-13)20-10-24(17)15-5-4-11(19)7-14(15)18(23)26/h4-5,7,9-10,13H,2-3,6,8H2,1H3
InChIKeyDXEUWEKEKNCMJF-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.63
Rot. Bonds3

About 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one

7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (PubChem CID 67886082) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
PubChem CID67886082
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12
InChIInChI=1S/C18H17FN6O2/c1-23-17-16(25-9-12(21-22-25)8-13-3-2-6-27-13)20-10-24(17)15-5-4-11(19)7-14(15)18(23)26/h4-5,7,9-10,13H,2-3,6,8H2,1H3
InChIKeyDXEUWEKEKNCMJF-UHFFFAOYSA-N
XLogP1.63
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.63
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-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one (CID 67886082) is 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4CCCO4)nn3)c12.
What is the InChIKey of 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
The InChIKey is DXEUWEKEKNCMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-23-17-16(25-9-12(21-22-25)8-13-3-2-6-27-13)20-10-24(17)15-5-4-11(19)7-14(15)18(23)26/h4-5,7,9-10,13H,2-3,6,8H2,1H3.
What are the key properties of 7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one?
7-fluoro-4-methyl-3-[4-(oxolan-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one has a molecular weight of 368.37 g/mol, XLogP of 1.63, 3 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-2-ylmethyl)triazol-1-yl]imidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 67886082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).