N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

C17H22N2O2 — CID 63481043

IUPACN,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCCNc1c(CC)c(C)nc2cc3c(cc12)OCCCO3
InChIInChI=1S/C17H22N2O2/c1-4-12-11(3)19-14-10-16-15(20-7-6-8-21-16)9-13(14)17(12)18-5-2/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyWFBZBSPGQJUPDI-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.70
Rot. Bonds3

About N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (PubChem CID 63481043) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.

Molecular Properties

Compound NameN,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
PubChem CID63481043
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCCNc1c(CC)c(C)nc2cc3c(cc12)OCCCO3
InChIInChI=1S/C17H22N2O2/c1-4-12-11(3)19-14-10-16-15(20-7-6-8-21-16)9-13(14)17(12)18-5-2/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKeyWFBZBSPGQJUPDI-UHFFFAOYSA-N
XLogP3.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine 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 N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The IUPAC name of N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (CID 63481043) is N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.
What is the SMILES notation for N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The canonical SMILES for N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is CCNc1c(CC)c(C)nc2cc3c(cc12)OCCCO3.
What is the InChIKey of N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The InChIKey is WFBZBSPGQJUPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-12-11(3)19-14-10-16-15(20-7-6-8-21-16)9-13(14)17(12)18-5-2/h9-10H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine has a molecular weight of 286.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is sourced from PubChem (CID 63481043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).