9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione

C17H22N2O2 — CID 13324478

IUPAC9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
SMILESCCNCC1CCc2c(C)cc3c(c2C1=O)CCC(=O)N3
InChIInChI=1S/C17H22N2O2/c1-3-18-9-11-4-5-12-10(2)8-14-13(16(12)17(11)21)6-7-15(20)19-14/h8,11,18H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyMXGSWYARJSXBTF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.23
Rot. Bonds3

About 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione

9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione (PubChem CID 13324478) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione.

Molecular Properties

Compound Name9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
PubChem CID13324478
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
SMILESCCNCC1CCc2c(C)cc3c(c2C1=O)CCC(=O)N3
InChIInChI=1S/C17H22N2O2/c1-3-18-9-11-4-5-12-10(2)8-14-13(16(12)17(11)21)6-7-15(20)19-14/h8,11,18H,3-7,9H2,1-2H3,(H,19,20)
InChIKeyMXGSWYARJSXBTF-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The IUPAC name of 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione (CID 13324478) is 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione.
What is the SMILES notation for 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The canonical SMILES for 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione is CCNCC1CCc2c(C)cc3c(c2C1=O)CCC(=O)N3.
What is the InChIKey of 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The InChIKey is MXGSWYARJSXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-18-9-11-4-5-12-10(2)8-14-13(16(12)17(11)21)6-7-15(20)19-14/h8,11,18H,3-7,9H2,1-2H3,(H,19,20).
What are the key properties of 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione has a molecular weight of 286.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethylaminomethyl)-6-methyl-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione is sourced from PubChem (CID 13324478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).