4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide

C22H21N5O3 — CID 53249075

IUPAC4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-10-21(19-11-18(30-3)8-9-20(19)24-14)27-13-16(25-26-27)12-23-22(28)15-4-6-17(29-2)7-5-15/h4-11,13H,12H2,1-3H3,(H,23,28)
InChIKeyUJBBXJZFCDYIQF-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.07
Rot. Bonds6

About 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide

4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide (PubChem CID 53249075) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide
PubChem CID53249075
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1
InChIInChI=1S/C22H21N5O3/c1-14-10-21(19-11-18(30-3)8-9-20(19)24-14)27-13-16(25-26-27)12-23-22(28)15-4-6-17(29-2)7-5-15/h4-11,13H,12H2,1-3H3,(H,23,28)
InChIKeyUJBBXJZFCDYIQF-UHFFFAOYSA-N
XLogP3.07
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide (CID 53249075) is 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide is COc1ccc(C(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide?
The InChIKey is UJBBXJZFCDYIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-14-10-21(19-11-18(30-3)8-9-20(19)24-14)27-13-16(25-26-27)12-23-22(28)15-4-6-17(29-2)7-5-15/h4-11,13H,12H2,1-3H3,(H,23,28).
What are the key properties of 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide?
4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(6-methoxy-2-methylquinolin-4-yl)triazol-4-yl]methyl]benzamide is sourced from PubChem (CID 53249075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).