4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one

C19H23N5O3 — CID 74239896

IUPAC4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one
SMILESCOCCc1nc(C2CNCCO2)n(-c2cc(=O)n(C)c3ccccc23)n1
InChIInChI=1S/C19H23N5O3/c1-23-14-6-4-3-5-13(14)15(11-18(23)25)24-19(16-12-20-8-10-27-16)21-17(22-24)7-9-26-2/h3-6,11,16,20H,7-10,12H2,1-2H3
InChIKeyZAASBSUBHOQSTE-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.97
Rot. Bonds5

About 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one

4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one (PubChem CID 74239896) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one
PubChem CID74239896
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one
SMILESCOCCc1nc(C2CNCCO2)n(-c2cc(=O)n(C)c3ccccc23)n1
InChIInChI=1S/C19H23N5O3/c1-23-14-6-4-3-5-13(14)15(11-18(23)25)24-19(16-12-20-8-10-27-16)21-17(22-24)7-9-26-2/h3-6,11,16,20H,7-10,12H2,1-2H3
InChIKeyZAASBSUBHOQSTE-UHFFFAOYSA-N
XLogP0.97
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one?
The IUPAC name of 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one (CID 74239896) is 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one is COCCc1nc(C2CNCCO2)n(-c2cc(=O)n(C)c3ccccc23)n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one?
The InChIKey is ZAASBSUBHOQSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23-14-6-4-3-5-13(14)15(11-18(23)25)24-19(16-12-20-8-10-27-16)21-17(22-24)7-9-26-2/h3-6,11,16,20H,7-10,12H2,1-2H3.
What are the key properties of 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one?
4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one has a molecular weight of 369.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-5-morpholin-2-yl-1,2,4-triazol-1-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 74239896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).