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

C17H15FN6O2 — CID 56613115

IUPAC7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4(O)CC4)nn3)c12
InChIInChI=1S/C17H15FN6O2/c1-22-15-14(24-8-11(20-21-24)7-17(26)4-5-17)19-9-23(15)13-3-2-10(18)6-12(13)16(22)25/h2-3,6,8-9,26H,4-5,7H2,1H3
InChIKeyGMIZQNFUXSWPDA-UHFFFAOYSA-N
MW354.35 g/mol
LogP0.97
Rot. Bonds3

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

7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one (PubChem CID 56613115) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
PubChem CID56613115
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one
SMILESCn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4(O)CC4)nn3)c12
InChIInChI=1S/C17H15FN6O2/c1-22-15-14(24-8-11(20-21-24)7-17(26)4-5-17)19-9-23(15)13-3-2-10(18)6-12(13)16(22)25/h2-3,6,8-9,26H,4-5,7H2,1H3
InChIKeyGMIZQNFUXSWPDA-UHFFFAOYSA-N
XLogP0.97
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The IUPAC name of 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one (CID 56613115) is 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The canonical SMILES for 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one is Cn1c(=O)c2cc(F)ccc2n2cnc(-n3cc(CC4(O)CC4)nn3)c12.
What is the InChIKey of 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
The InChIKey is GMIZQNFUXSWPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-22-15-14(24-8-11(20-21-24)7-17(26)4-5-17)19-9-23(15)13-3-2-10(18)6-12(13)16(22)25/h2-3,6,8-9,26H,4-5,7H2,1H3.
What are the key properties of 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one?
7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one has a molecular weight of 354.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-[(1-hydroxycyclopropyl)methyl]triazol-1-yl]-4-methylimidazo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 56613115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).