10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione

C14H15N3O3 — CID 146191463

IUPAC10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
SMILESCC1COC(=O)c2c(c3cc(N)ccc3n(C)c2=O)N1
InChIInChI=1S/C14H15N3O3/c1-7-6-20-14(19)11-12(16-7)9-5-8(15)3-4-10(9)17(2)13(11)18/h3-5,7,16H,6,15H2,1-2H3
InChIKeyYJAWUSRBRMWRCD-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.09
Rot. Bonds

About 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione

10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione (PubChem CID 146191463) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione.

Molecular Properties

Compound Name10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
PubChem CID146191463
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione
SMILESCC1COC(=O)c2c(c3cc(N)ccc3n(C)c2=O)N1
InChIInChI=1S/C14H15N3O3/c1-7-6-20-14(19)11-12(16-7)9-5-8(15)3-4-10(9)17(2)13(11)18/h3-5,7,16H,6,15H2,1-2H3
InChIKeyYJAWUSRBRMWRCD-UHFFFAOYSA-N
XLogP1.09
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione?
The IUPAC name of 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione (CID 146191463) is 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione.
What is the SMILES notation for 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione?
The canonical SMILES for 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione is CC1COC(=O)c2c(c3cc(N)ccc3n(C)c2=O)N1.
What is the InChIKey of 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione?
The InChIKey is YJAWUSRBRMWRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-6-20-14(19)11-12(16-7)9-5-8(15)3-4-10(9)17(2)13(11)18/h3-5,7,16H,6,15H2,1-2H3.
What are the key properties of 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione?
10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione has a molecular weight of 273.29 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2,7-dimethyl-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinoline-5,6-dione is sourced from PubChem (CID 146191463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).