2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

C16H20N2O3 — CID 46958658

IUPAC2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCC1CNCc2cc3c(OC)ccc(OC)c3nc2O1
InChIInChI=1S/C16H20N2O3/c1-4-11-9-17-8-10-7-12-13(19-2)5-6-14(20-3)15(12)18-16(10)21-11/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyWHOVAVWIEXSZGN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.51
Rot. Bonds3

About 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline

2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (PubChem CID 46958658) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.

Molecular Properties

Compound Name2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
PubChem CID46958658
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline
SMILESCCC1CNCc2cc3c(OC)ccc(OC)c3nc2O1
InChIInChI=1S/C16H20N2O3/c1-4-11-9-17-8-10-7-12-13(19-2)5-6-14(20-3)15(12)18-16(10)21-11/h5-7,11,17H,4,8-9H2,1-3H3
InChIKeyWHOVAVWIEXSZGN-UHFFFAOYSA-N
XLogP2.51
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The IUPAC name of 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline (CID 46958658) is 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline.
What is the SMILES notation for 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The canonical SMILES for 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is CCC1CNCc2cc3c(OC)ccc(OC)c3nc2O1.
What is the InChIKey of 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
The InChIKey is WHOVAVWIEXSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11-9-17-8-10-7-12-13(19-2)5-6-14(20-3)15(12)18-16(10)21-11/h5-7,11,17H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline?
2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline has a molecular weight of 288.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,10-dimethoxy-2,3,4,5-tetrahydro-[1,4]oxazepino[7,6-b]quinoline is sourced from PubChem (CID 46958658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).