7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one

C16H15N3O2 — CID 43479146

IUPAC7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1N1CCc3ccccc31)NC(=O)CO2
InChIInChI=1S/C16H15N3O2/c17-11-7-15-12(18-16(20)9-21-15)8-14(11)19-6-5-10-3-1-2-4-13(10)19/h1-4,7-8H,5-6,9,17H2,(H,18,20)
InChIKeyPBEMDVHULZCIGT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.29
Rot. Bonds1

About 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one

7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 43479146) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
PubChem CID43479146
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1N1CCc3ccccc31)NC(=O)CO2
InChIInChI=1S/C16H15N3O2/c17-11-7-15-12(18-16(20)9-21-15)8-14(11)19-6-5-10-3-1-2-4-13(10)19/h1-4,7-8H,5-6,9,17H2,(H,18,20)
InChIKeyPBEMDVHULZCIGT-UHFFFAOYSA-N
XLogP2.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one 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

6-(2,3-dihydroindol-1-ylsulfonyl)-7-methyl-4H-1,4-benzoxazin-3-one
CID 5295628
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-amino-6-(3-ethyl-4-methylpiperazin-1-yl)-4H-1,4-benzoxazin-3-one
CID 63611011
1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-3-carboxamide
CID 43479138
7-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-4H-1,4-benzoxazin-3-one
CID 106835369
7-amino-6-(2-iodophenoxy)-4H-1,4-benzoxazin-3-one
CID 43479561
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one
CID 83005602
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
4-(2,3-dihydroindol-1-yl)-1-N,1-N-dimethylbenzene-1,3-diamine
CID 28809875
7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one
CID 43479244
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one (CID 43479146) is 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one is Nc1cc2c(cc1N1CCc3ccccc31)NC(=O)CO2.
What is the InChIKey of 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is PBEMDVHULZCIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-11-7-15-12(18-16(20)9-21-15)8-14(11)19-6-5-10-3-1-2-4-13(10)19/h1-4,7-8H,5-6,9,17H2,(H,18,20).
What are the key properties of 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one?
7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 281.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2,3-dihydroindol-1-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43479146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).