6-amino-7-ethyl-4H-1,4-benzoxazin-3-one

C10H12N2O2 — CID 19908782

IUPAC6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cc2c(cc1N)NC(=O)CO2
InChIInChI=1S/C10H12N2O2/c1-2-6-3-9-8(4-7(6)11)12-10(13)5-14-9/h3-4H,2,5,11H2,1H3,(H,12,13)
InChIKeyYBZVCWRUHVMACP-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.16
Rot. Bonds1

About 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one

6-amino-7-ethyl-4H-1,4-benzoxazin-3-one (PubChem CID 19908782) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
PubChem CID19908782
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cc2c(cc1N)NC(=O)CO2
InChIInChI=1S/C10H12N2O2/c1-2-6-3-9-8(4-7(6)11)12-10(13)5-14-9/h3-4H,2,5,11H2,1H3,(H,12,13)
InChIKeyYBZVCWRUHVMACP-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
CID 43479176
6-(aminomethyl)-7-chloro-4H-1,4-benzoxazin-3-one
CID 59298732
7-(aminomethyl)-6-chloro-4H-1,4-benzoxazin-3-one
CID 82508575
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
7-amino-6-(4-ethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479290
7-amino-6-[methyl(pentyl)amino]-4H-1,4-benzoxazin-3-one
CID 43479334
7-amino-6-[1-methoxypropan-2-yl(methyl)amino]-4H-1,4-benzoxazin-3-one
CID 61450445
ethyl N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)carbamate
CID 43551157
6-(aminomethyl)-7-fluoro-4H-1,4-benzoxazin-3-one
CID 59298314
7-amino-6-[methyl(2,2,2-trifluoroethyl)amino]-4H-1,4-benzoxazin-3-one
CID 60891925

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one (CID 19908782) is 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one is CCc1cc2c(cc1N)NC(=O)CO2.
What is the InChIKey of 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is YBZVCWRUHVMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-6-3-9-8(4-7(6)11)12-10(13)5-14-9/h3-4H,2,5,11H2,1H3,(H,12,13).
What are the key properties of 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one?
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 192.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-ethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 19908782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).