[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone

C23H23N7O3 — CID 71566663

IUPAC[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1
InChIInChI=1S/C23H23N7O3/c1-32-20-5-6-21(22(15-20)30-26-9-10-27-30)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/m1/s1
InChIKeyMRZOKJFVVJMJLC-LJQANCHMSA-N
MW445.48 g/mol
LogP1.94
Rot. Bonds6

About [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone

[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71566663) has the molecular formula C23H23N7O3 and a molecular weight of 445.48 g/mol. Its IUPAC name is [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71566663
Molecular FormulaC23H23N7O3
Molecular Weight445.48 g/mol
Exact Mass445.19
IUPAC Name[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1
InChIInChI=1S/C23H23N7O3/c1-32-20-5-6-21(22(15-20)30-26-9-10-27-30)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/m1/s1
InChIKeyMRZOKJFVVJMJLC-LJQANCHMSA-N
XLogP1.94
TPSA100.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71566663) is [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1.
What is the InChIKey of [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is MRZOKJFVVJMJLC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N7O3/c1-32-20-5-6-21(22(15-20)30-26-9-10-27-30)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/m1/s1.
What are the key properties of [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 445.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).