N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C12H12N2O3 — CID 5295549

IUPACN-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CC3)cc2N1
InChIInChI=1S/C12H12N2O3/c15-11-6-17-10-4-1-7(5-9(10)14-11)12(16)13-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,13,16)(H,14,15)
InChIKeyATTIYXGRYDTSAN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.91
Rot. Bonds2

About N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 5295549) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID5295549
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)NC3CC3)cc2N1
InChIInChI=1S/C12H12N2O3/c15-11-6-17-10-4-1-7(5-9(10)14-11)12(16)13-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,13,16)(H,14,15)
InChIKeyATTIYXGRYDTSAN-UHFFFAOYSA-N
XLogP0.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 5295549) is N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)NC3CC3)cc2N1.
What is the InChIKey of N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is ATTIYXGRYDTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-6-17-10-4-1-7(5-9(10)14-11)12(16)13-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,13,16)(H,14,15).
What are the key properties of N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 5295549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).