[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone

C23H23ClN4O2 — CID 86934579

IUPAC[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C23H23ClN4O2/c1-15-14-30-20(18-9-5-6-10-19(18)24)13-27(15)23(29)21-25-22(16-11-12-16)28(26-21)17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3
InChIKeyPMUUCXCTUKANKX-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.40
Rot. Bonds4

About [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone

[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone (PubChem CID 86934579) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
PubChem CID86934579
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C23H23ClN4O2/c1-15-14-30-20(18-9-5-6-10-19(18)24)13-27(15)23(29)21-25-22(16-11-12-16)28(26-21)17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3
InChIKeyPMUUCXCTUKANKX-UHFFFAOYSA-N
XLogP4.40
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone (CID 86934579) is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone is CC1COC(c2ccccc2Cl)CN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is PMUUCXCTUKANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-14-30-20(18-9-5-6-10-19(18)24)13-27(15)23(29)21-25-22(16-11-12-16)28(26-21)17-7-3-2-4-8-17/h2-10,15-16,20H,11-14H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 422.92 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 86934579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).