7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one

C12H16N4O3 — CID 83005602

IUPAC7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1NN1CCOCC1)NC(=O)CO2
InChIInChI=1S/C12H16N4O3/c13-8-5-11-10(14-12(17)7-19-11)6-9(8)15-16-1-3-18-4-2-16/h5-6,15H,1-4,7,13H2,(H,14,17)
InChIKeyNYIAYRSIWGSBDK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.26
Rot. Bonds2

About 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one

7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one (PubChem CID 83005602) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one
PubChem CID83005602
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one
SMILESNc1cc2c(cc1NN1CCOCC1)NC(=O)CO2
InChIInChI=1S/C12H16N4O3/c13-8-5-11-10(14-12(17)7-19-11)6-9(8)15-16-1-3-18-4-2-16/h5-6,15H,1-4,7,13H2,(H,14,17)
InChIKeyNYIAYRSIWGSBDK-UHFFFAOYSA-N
XLogP0.26
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-amino-6-(morpholin-4-ylamino)-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-amino-7-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004965
7-amino-6-(morpholin-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 83004557
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 43550407
7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
CID 43479176
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
7-amino-6-(dicyclopropylmethylamino)-4H-1,4-benzoxazin-3-one
CID 61479289
7-amino-6-[(2-methyl-2-methylsulfonylpropyl)amino]-4H-1,4-benzoxazin-3-one
CID 79561041
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-amino-6-(5-hydroxypentylamino)-4H-1,4-benzoxazin-3-one
CID 107316519
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-methylbutanamide
CID 106344012
ethyl N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)carbamate
CID 43551157
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
CID 43479338

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one (CID 83005602) is 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one is Nc1cc2c(cc1NN1CCOCC1)NC(=O)CO2.
What is the InChIKey of 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one?
The InChIKey is NYIAYRSIWGSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-8-5-11-10(14-12(17)7-19-11)6-9(8)15-16-1-3-18-4-2-16/h5-6,15H,1-4,7,13H2,(H,14,17).
What are the key properties of 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one?
7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one has a molecular weight of 264.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(morpholin-4-ylamino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 83005602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).