N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C17H17N3O3 — CID 86929686

IUPACN-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H17N3O3/c1-20(2)14-6-4-3-5-12(14)19-17(22)11-7-8-15-13(9-11)18-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIEGGDBISZTWAAJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.34
Rot. Bonds3

About N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 86929686) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID86929686
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H17N3O3/c1-20(2)14-6-4-3-5-12(14)19-17(22)11-7-8-15-13(9-11)18-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIEGGDBISZTWAAJ-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide 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

N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17394634
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 49008666
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-(2-ethyl-6-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17417944
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 86929686) is N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CN(C)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is IEGGDBISZTWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(2)14-6-4-3-5-12(14)19-17(22)11-7-8-15-13(9-11)18-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 86929686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).