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

C10H13N3O2 — CID 43479176

IUPAC7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
SMILESCCNc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C10H13N3O2/c1-2-12-7-4-8-9(3-6(7)11)15-5-10(14)13-8/h3-4,12H,2,5,11H2,1H3,(H,13,14)
InChIKeyANLDSFUIWIGQIY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.03
Rot. Bonds2

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

7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one (PubChem CID 43479176) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
PubChem CID43479176
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
SMILESCCNc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C10H13N3O2/c1-2-12-7-4-8-9(3-6(7)11)15-5-10(14)13-8/h3-4,12H,2,5,11H2,1H3,(H,13,14)
InChIKeyANLDSFUIWIGQIY-UHFFFAOYSA-N
XLogP1.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
CID 43479338
7-amino-6-(3-hydroxybutylamino)-4H-1,4-benzoxazin-3-one
CID 64926874
7-amino-6-[(2-methyl-2-methylsulfonylpropyl)amino]-4H-1,4-benzoxazin-3-one
CID 79561041
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 43550407
ethyl N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)carbamate
CID 43551157
7-amino-6-(5-hydroxypentylamino)-4H-1,4-benzoxazin-3-one
CID 107316519
7-amino-6-[(2-cyclopropyl-2-hydroxyethyl)amino]-4H-1,4-benzoxazin-3-one
CID 63294887
7-amino-6-(4-ethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479290
5-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]pentanamide
CID 106234227
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106773
3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-methylbutanamide
CID 106095684

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one (CID 43479176) is 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one is CCNc1cc2c(cc1N)OCC(=O)N2.
What is the InChIKey of 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one?
The InChIKey is ANLDSFUIWIGQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-12-7-4-8-9(3-6(7)11)15-5-10(14)13-8/h3-4,12H,2,5,11H2,1H3,(H,13,14).
What are the key properties of 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one?
7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one has a molecular weight of 207.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43479176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).