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

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

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Related Compounds

tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
CID 42570281
tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate
CID 42649996
(2S)-3-methyl-2-[[4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid
CID 7741818
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-(3,4-difluorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4903518
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 94098725
3-[[(4R)-1,3-dioxan-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 97317007
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818

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).