methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate

C15H17NO5 — CID 15035906

IUPACmethyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1cc2c(cc1C)OCC(=O)N2C
InChIInChI=1S/C15H17NO5/c1-9-6-13-11(16(2)14(18)8-21-13)7-10(9)12(17)4-5-15(19)20-3/h6-7H,4-5,8H2,1-3H3
InChIKeyHQYMZRFOOXMGGX-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.49
Rot. Bonds4

About methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate

methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate (PubChem CID 15035906) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate
PubChem CID15035906
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1cc2c(cc1C)OCC(=O)N2C
InChIInChI=1S/C15H17NO5/c1-9-6-13-11(16(2)14(18)8-21-13)7-10(9)12(17)4-5-15(19)20-3/h6-7H,4-5,8H2,1-3H3
InChIKeyHQYMZRFOOXMGGX-UHFFFAOYSA-N
XLogP1.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3-oxopropanoic acid
CID 116917982
2-(4,6-dimethyl-3-oxo-1,4-benzoxazin-7-yl)butanoic acid
CID 70410449
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
CID 110783576
methyl 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanoate
CID 116964415
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
methyl 2-amino-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 116856936
4-methyl-6-(3-piperazin-1-ylpropanoyl)-1,4-benzoxazin-3-one
CID 82095735
methyl 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 43378369
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate (CID 15035906) is methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate is COC(=O)CCC(=O)c1cc2c(cc1C)OCC(=O)N2C.
What is the InChIKey of methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate?
The InChIKey is HQYMZRFOOXMGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9-6-13-11(16(2)14(18)8-21-13)7-10(9)12(17)4-5-15(19)20-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate?
methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate has a molecular weight of 291.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,7-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxobutanoate is sourced from PubChem (CID 15035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).