3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one

C18H17N5O3 — CID 16804813

IUPAC3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCOc1ccccc1OC(C)c1nn2c(=O)c3ccccc3nc2n1N
InChIInChI=1S/C18H17N5O3/c1-11(26-15-10-6-5-9-14(15)25-2)16-21-23-17(24)12-7-3-4-8-13(12)20-18(23)22(16)19/h3-11H,19H2,1-2H3
InChIKeyGJTUIKUCTMXGIN-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one

3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one (PubChem CID 16804813) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
PubChem CID16804813
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SMILESCOc1ccccc1OC(C)c1nn2c(=O)c3ccccc3nc2n1N
InChIInChI=1S/C18H17N5O3/c1-11(26-15-10-6-5-9-14(15)25-2)16-21-23-17(24)12-7-3-4-8-13(12)20-18(23)22(16)19/h3-11H,19H2,1-2H3
InChIKeyGJTUIKUCTMXGIN-UHFFFAOYSA-N
XLogP1.91
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one with MolForge

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Related Compounds

3-amino-2-(3-methoxyphenyl)-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 4158245
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570417
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570305
2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
CID 99903211
dimethyl-[2-[[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]azaniumyl]ethyl]azanium
CID 7440089

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one (CID 16804813) is 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one is COc1ccccc1OC(C)c1nn2c(=O)c3ccccc3nc2n1N.
What is the InChIKey of 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
The InChIKey is GJTUIKUCTMXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11(26-15-10-6-5-9-14(15)25-2)16-21-23-17(24)12-7-3-4-8-13(12)20-18(23)22(16)19/h3-11H,19H2,1-2H3.
What are the key properties of 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one?
3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one has a molecular weight of 351.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 16804813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).