(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one

C20H17ClN2O4 — CID 46296703

IUPAC(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O4/c21-15-4-2-1-3-13(15)12-18-19(24)22-16-11-14(5-6-17(16)27-18)20(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b18-12-
InChIKeyDZQGASBJXRDTTG-PDGQHHTCSA-N
MW384.82 g/mol
LogP3.18
Rot. Bonds2

About (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one

(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 46296703) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID46296703
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O4/c21-15-4-2-1-3-13(15)12-18-19(24)22-16-11-14(5-6-17(16)27-18)20(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b18-12-
InChIKeyDZQGASBJXRDTTG-PDGQHHTCSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.18
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-(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
(2Z)-2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 46296884
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ylpropyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296737
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ylbutyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296761
2-[(2-chlorophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 71363831
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867443
1-[(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carbonyl]piperidine-4-carboxamide
CID 46296778
(2E)-2-[(2-methoxyphenyl)methylidene]-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46296611
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296715
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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one (CID 46296703) is (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one is O=C1Nc2cc(C(=O)N3CCOCC3)ccc2O/C1=C\c1ccccc1Cl.
What is the InChIKey of (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is DZQGASBJXRDTTG-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-15-4-2-1-3-13(15)12-18-19(24)22-16-11-14(5-6-17(16)27-18)20(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2,(H,22,24)/b18-12-.
What are the key properties of (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
(2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 384.82 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chlorophenyl)methylidene]-6-(morpholine-4-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 46296703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).