4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one

C21H24N2O5 — CID 4308263

IUPAC4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC(C)OC(C)C3)o1)C(=O)CO2
InChIInChI=1S/C21H24N2O5/c1-13-4-6-18-17(8-13)23(20(24)12-26-18)11-16-5-7-19(28-16)21(25)22-9-14(2)27-15(3)10-22/h4-8,14-15H,9-12H2,1-3H3
InChIKeyQTMLJULIUZYCFG-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.76
Rot. Bonds3

About 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one

4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one (PubChem CID 4308263) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
PubChem CID4308263
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC(C)OC(C)C3)o1)C(=O)CO2
InChIInChI=1S/C21H24N2O5/c1-13-4-6-18-17(8-13)23(20(24)12-26-18)11-16-5-7-19(28-16)21(25)22-9-14(2)27-15(3)10-22/h4-8,14-15H,9-12H2,1-3H3
InChIKeyQTMLJULIUZYCFG-UHFFFAOYSA-N
XLogP2.76
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-tert-butyl-4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4056070
4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one
CID 4573712
7-methyl-4-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4557344
N,N-diethyl-5-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786202
4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4018200
6-tert-butyl-4-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 4571899
6-acetyl-4-[[5-(4-benzylpiperazine-1-carbonyl)furan-2-yl]methyl]-1,4-benzoxazin-3-one
CID 3956137
4-[[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 4672436
[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4107349
N-cyclopropyl-5-[[6-[2-(2,4-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]furan-2-carboxamide
CID 42846301
propan-2-yl 4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411118
ethyl 1-[4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 4201140

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one (CID 4308263) is 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC(C)OC(C)C3)o1)C(=O)CO2.
What is the InChIKey of 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
The InChIKey is QTMLJULIUZYCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-4-6-18-17(8-13)23(20(24)12-26-18)11-16-5-7-19(28-16)21(25)22-9-14(2)27-15(3)10-22/h4-8,14-15H,9-12H2,1-3H3.
What are the key properties of 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one?
4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one has a molecular weight of 384.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]-6-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 4308263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).