(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one

C20H18N2O4 — CID 46296884

IUPAC(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)/b18-12-
InChIKeyGCMMIGJEZOKNQC-PDGQHHTCSA-N
MW350.37 g/mol
LogP2.53
Rot. Bonds2

About (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one

(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 46296884) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID46296884
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1
InChIInChI=1S/C20H18N2O4/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)/b18-12-
InChIKeyGCMMIGJEZOKNQC-PDGQHHTCSA-N
XLogP2.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296703
2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzoxazin-3-one
CID 5190398
2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
CID 4521443
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296693
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296691
1-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carbonyl]piperidine-4-carboxamide
CID 46296778
(2E)-6-amino-2-benzylidene-4H-1,4-benzoxazin-3-one
CID 28862933
(2E)-2-benzylidene-6-methyl-4H-1,4-benzoxazin-3-one
CID 124643521
ethyl 4-[4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzoyl]piperazine-1-carboxylate
CID 45107092
(2E)-2-[(2-methoxyphenyl)methylidene]-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46296611
3-methylidene-5-(morpholine-4-carbonyl)-1H-indol-2-one
CID 89153263
(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296576

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one (CID 46296884) is (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one is O=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1.
What is the InChIKey of (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is GCMMIGJEZOKNQC-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19-18(12-14-4-2-1-3-5-14)26-17-7-6-15(13-16(17)21-19)20(24)22-8-10-25-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)/b18-12-.
What are the key properties of (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 350.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 46296884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).