N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide

C14H15N3O4 — CID 110744799

IUPACN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2c(c(NC(=O)C3CCC(=O)N3)c1)OCC(=O)N2
InChIInChI=1S/C14H15N3O4/c1-7-4-9-13(21-6-12(19)16-9)10(5-7)17-14(20)8-2-3-11(18)15-8/h4-5,8H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyRQGANPBJYBRYAW-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.54
Rot. Bonds2

About N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide

N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110744799) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110744799
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc2c(c(NC(=O)C3CCC(=O)N3)c1)OCC(=O)N2
InChIInChI=1S/C14H15N3O4/c1-7-4-9-13(21-6-12(19)16-9)10(5-7)17-14(20)8-2-3-11(18)15-8/h4-5,8H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyRQGANPBJYBRYAW-UHFFFAOYSA-N
XLogP0.54
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
8-(dimethylsulfamoylamino)-6-methyl-3-oxo-4H-1,4-benzoxazine
CID 110729693
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)propane-1-sulfonamide
CID 110729691
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
N-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 43806476
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
CID 110729773
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
CID 110744803
4-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110729696
5-oxo-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyrrolidine-2-carboxamide
CID 110793048
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide (CID 110744799) is N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide is Cc1cc2c(c(NC(=O)C3CCC(=O)N3)c1)OCC(=O)N2.
What is the InChIKey of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RQGANPBJYBRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-7-4-9-13(21-6-12(19)16-9)10(5-7)17-14(20)8-2-3-11(18)15-8/h4-5,8H,2-3,6H2,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide?
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110744799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).