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

C20H26N2O2 — CID 13324452

IUPAC6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
SMILESCc1cc2c(c3c1CCC(CN1CCCCC1)C3=O)CCC(=O)N2
InChIInChI=1S/C20H26N2O2/c1-13-11-17-16(7-8-18(23)21-17)19-15(13)6-5-14(20(19)24)12-22-9-3-2-4-10-22/h11,14H,2-10,12H2,1H3,(H,21,23)
InChIKeyMSBHRKNHELCZTQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.11
Rot. Bonds2

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

6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione (PubChem CID 13324452) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione.

Molecular Properties

Compound Name6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
PubChem CID13324452
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
SMILESCc1cc2c(c3c1CCC(CN1CCCCC1)C3=O)CCC(=O)N2
InChIInChI=1S/C20H26N2O2/c1-13-11-17-16(7-8-18(23)21-17)19-15(13)6-5-14(20(19)24)12-22-9-3-2-4-10-22/h11,14H,2-10,12H2,1H3,(H,21,23)
InChIKeyMSBHRKNHELCZTQ-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The IUPAC name of 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione (CID 13324452) is 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione.
What is the SMILES notation for 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The canonical SMILES for 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione is Cc1cc2c(c3c1CCC(CN1CCCCC1)C3=O)CCC(=O)N2.
What is the InChIKey of 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
The InChIKey is MSBHRKNHELCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-11-17-16(7-8-18(23)21-17)19-15(13)6-5-14(20(19)24)12-22-9-3-2-4-10-22/h11,14H,2-10,12H2,1H3,(H,21,23).
What are the key properties of 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione?
6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione has a molecular weight of 326.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione is sourced from PubChem (CID 13324452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).