ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate

C16H17N5O3 — CID 2816171

IUPACethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C16H17N5O3/c1-2-24-16(22)13-15-17-14(20-7-9-23-10-8-20)11-5-3-4-6-12(11)21(15)19-18-13/h3-6H,2,7-10H2,1H3
InChIKeyIQTOGKOJDLWZPS-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.29
Rot. Bonds3

About ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate

ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 2816171) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID2816171
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Nameethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc12
InChIInChI=1S/C16H17N5O3/c1-2-24-16(22)13-15-17-14(20-7-9-23-10-8-20)11-5-3-4-6-12(11)21(15)19-18-13/h3-6H,2,7-10H2,1H3
InChIKeyIQTOGKOJDLWZPS-UHFFFAOYSA-N
XLogP1.29
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874455
CID 134787585
CID 134787585
ethyl 1-[3-(2-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxylate
CID 10112784
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506
ethyl 5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 6977070
ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
CID 134098616

Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate (CID 2816171) is ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate is CCOC(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc12.
What is the InChIKey of ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is IQTOGKOJDLWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-2-24-16(22)13-15-17-14(20-7-9-23-10-8-20)11-5-3-4-6-12(11)21(15)19-18-13/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate?
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 2816171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).