4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

C18H21N5O2 — CID 133368789

IUPAC4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCOc1cccc2c(N3CCOC(c4n[nH]c(C)n4)C3)cc(C)nc12
InChIInChI=1S/C18H21N5O2/c1-11-9-14(13-5-4-6-15(24-3)17(13)19-11)23-7-8-25-16(10-23)18-20-12(2)21-22-18/h4-6,9,16H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyOTUCBOSLHFGIQR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.56
Rot. Bonds3

About 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 133368789) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID133368789
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCOc1cccc2c(N3CCOC(c4n[nH]c(C)n4)C3)cc(C)nc12
InChIInChI=1S/C18H21N5O2/c1-11-9-14(13-5-4-6-15(24-3)17(13)19-11)23-7-8-25-16(10-23)18-20-12(2)21-22-18/h4-6,9,16H,7-8,10H2,1-3H3,(H,20,21,22)
InChIKeyOTUCBOSLHFGIQR-UHFFFAOYSA-N
XLogP2.56
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (CID 133368789) is 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is COc1cccc2c(N3CCOC(c4n[nH]c(C)n4)C3)cc(C)nc12.
What is the InChIKey of 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is OTUCBOSLHFGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-9-14(13-5-4-6-15(24-3)17(13)19-11)23-7-8-25-16(10-23)18-20-12(2)21-22-18/h4-6,9,16H,7-8,10H2,1-3H3,(H,20,21,22).
What are the key properties of 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-2-methylquinolin-4-yl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 133368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).