3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one

C25H28N4O3 — CID 42653631

IUPAC3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one
SMILESO=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H28N4O3/c30-24(28-14-15-32-23(17-28)19-6-2-1-3-7-19)20-12-10-18(11-13-20)16-29-25(31)21-8-4-5-9-22(21)26-27-29/h1-9,18,20,23H,10-17H2
InChIKeyUUFFENCMWRFRMT-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.20
Rot. Bonds4

About 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one

3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one (PubChem CID 42653631) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one
PubChem CID42653631
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one
SMILESO=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H28N4O3/c30-24(28-14-15-32-23(17-28)19-6-2-1-3-7-19)20-12-10-18(11-13-20)16-29-25(31)21-8-4-5-9-22(21)26-27-29/h1-9,18,20,23H,10-17H2
InChIKeyUUFFENCMWRFRMT-UHFFFAOYSA-N
XLogP3.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one (CID 42653631) is 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one is O=C(C1CCC(Cn2nnc3ccccc3c2=O)CC1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one?
The InChIKey is UUFFENCMWRFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-24(28-14-15-32-23(17-28)19-6-2-1-3-7-19)20-12-10-18(11-13-20)16-29-25(31)21-8-4-5-9-22(21)26-27-29/h1-9,18,20,23H,10-17H2.
What are the key properties of 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one?
3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one has a molecular weight of 432.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 42653631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).