3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one

C20H21N7O2 — CID 126898890

IUPAC3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4nnc5ccccn45)CC3)cc2ncn1CCO
InChIInChI=1S/C20H21N7O2/c28-12-11-26-14-21-17-13-15(4-5-16(17)19(26)29)24-7-9-25(10-8-24)20-23-22-18-3-1-2-6-27(18)20/h1-6,13-14,28H,7-12H2
InChIKeyLRVCGQVZHGETRP-UHFFFAOYSA-N
MW391.44 g/mol
LogP0.76
Rot. Bonds4

About 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one

3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126898890) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126898890
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4nnc5ccccn45)CC3)cc2ncn1CCO
InChIInChI=1S/C20H21N7O2/c28-12-11-26-14-21-17-13-15(4-5-16(17)19(26)29)24-7-9-25(10-8-24)20-23-22-18-3-1-2-6-27(18)20/h1-6,13-14,28H,7-12H2
InChIKeyLRVCGQVZHGETRP-UHFFFAOYSA-N
XLogP0.76
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(2-hydroxyethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126898623
3-(2-hydroxyethyl)-7-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126898605
3-(2-hydroxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126898638
3-(2-hydroxyethyl)-7-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898635
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
7-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898540
3-(2-hydroxyethyl)-7-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898756
3-(2-hydroxyethyl)-7-[4-[2-(2-oxopyrazin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898736
3-(2-hydroxyethyl)-7-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898859
3-(2-hydroxyethyl)-7-[4-(1,2,4-oxadiazol-5-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898761
3-(2-hydroxyethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898729
3-(2-hydroxyethyl)-7-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126898874

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one (CID 126898890) is 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one is O=c1c2ccc(N3CCN(c4nnc5ccccn45)CC3)cc2ncn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is LRVCGQVZHGETRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c28-12-11-26-14-21-17-13-15(4-5-16(17)19(26)29)24-7-9-25(10-8-24)20-23-22-18-3-1-2-6-27(18)20/h1-6,13-14,28H,7-12H2.
What are the key properties of 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one?
3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 391.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-7-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).