8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

C17H22N2O2 — CID 63481213

IUPAC8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCCCNc1cc(CC)nc2cc3c(cc12)OCCCO3
InChIInChI=1S/C17H22N2O2/c1-3-6-18-14-9-12(4-2)19-15-11-17-16(10-13(14)15)20-7-5-8-21-17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyNCAUTLNBPHDMCW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.78
Rot. Bonds4

About 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (PubChem CID 63481213) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.

Molecular Properties

Compound Name8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
PubChem CID63481213
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCCCNc1cc(CC)nc2cc3c(cc12)OCCCO3
InChIInChI=1S/C17H22N2O2/c1-3-6-18-14-9-12(4-2)19-15-11-17-16(10-13(14)15)20-7-5-8-21-17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyNCAUTLNBPHDMCW-UHFFFAOYSA-N
XLogP3.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine with MolForge

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Related Compounds

(7-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)hydrazine
CID 62250942
10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668416
2,6-diethyl-N-propylquinolin-4-amine
CID 63479884
6-tert-butyl-2-ethyl-N-propylquinolin-4-amine
CID 63480958
2-ethyl-6-iodo-N-propylquinolin-4-amine
CID 63480186
10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668414
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043
N-propyl-4,7-dioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,11,16-pentaen-17-amine
CID 63481035
N-[1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]propan-1-amine
CID 63023474
2-ethyl-8-methyl-N-propylquinolin-4-amine
CID 63481626
2-ethyl-6-methoxy-8-methyl-N-propylquinolin-4-amine
CID 63482033
5,7-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63479712

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The IUPAC name of 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (CID 63481213) is 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.
What is the SMILES notation for 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The canonical SMILES for 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is CCCNc1cc(CC)nc2cc3c(cc12)OCCCO3.
What is the InChIKey of 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The InChIKey is NCAUTLNBPHDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-6-18-14-9-12(4-2)19-15-11-17-16(10-13(14)15)20-7-5-8-21-17/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine has a molecular weight of 286.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is sourced from PubChem (CID 63481213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).