6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione

C18H15N3O3 — CID 15145308

IUPAC6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
SMILESCCn1c2ccc(N)cc2c2c(=O)n(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C18H15N3O3/c1-2-20-14-9-8-11(19)10-13(14)15-16(22)21(18(23)24-17(15)20)12-6-4-3-5-7-12/h3-10H,2,19H2,1H3
InChIKeyYHJCHUURIBJWHK-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.50
Rot. Bonds2

About 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione

6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione (PubChem CID 15145308) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione.

Molecular Properties

Compound Name6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
PubChem CID15145308
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione
SMILESCCn1c2ccc(N)cc2c2c(=O)n(-c3ccccc3)c(=O)oc21
InChIInChI=1S/C18H15N3O3/c1-2-20-14-9-8-11(19)10-13(14)15-16(22)21(18(23)24-17(15)20)12-6-4-3-5-7-12/h3-10H,2,19H2,1H3
InChIKeyYHJCHUURIBJWHK-UHFFFAOYSA-N
XLogP2.50
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione?
The IUPAC name of 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione (CID 15145308) is 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione.
What is the SMILES notation for 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione?
The canonical SMILES for 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione is CCn1c2ccc(N)cc2c2c(=O)n(-c3ccccc3)c(=O)oc21.
What is the InChIKey of 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione?
The InChIKey is YHJCHUURIBJWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-20-14-9-8-11(19)10-13(14)15-16(22)21(18(23)24-17(15)20)12-6-4-3-5-7-12/h3-10H,2,19H2,1H3.
What are the key properties of 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione?
6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione has a molecular weight of 321.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-ethyl-3-phenyl-[1,3]oxazino[6,5-b]indole-2,4-dione is sourced from PubChem (CID 15145308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).