6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione

C15H15ClN2O2 — CID 155526859

IUPAC6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N1CCCCC1)=C(Cl)C2=O
InChIInChI=1S/C15H15ClN2O2/c1-9-5-6-10-12(17-9)15(20)13(11(16)14(10)19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3
InChIKeyFTDHIHLUZLVXGM-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.71
Rot. Bonds1

About 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione

6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione (PubChem CID 155526859) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione.

Molecular Properties

Compound Name6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione
PubChem CID155526859
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione
SMILESCc1ccc2c(n1)C(=O)C(N1CCCCC1)=C(Cl)C2=O
InChIInChI=1S/C15H15ClN2O2/c1-9-5-6-10-12(17-9)15(20)13(11(16)14(10)19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3
InChIKeyFTDHIHLUZLVXGM-UHFFFAOYSA-N
XLogP2.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione?
The IUPAC name of 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione (CID 155526859) is 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione.
What is the SMILES notation for 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione?
The canonical SMILES for 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione is Cc1ccc2c(n1)C(=O)C(N1CCCCC1)=C(Cl)C2=O.
What is the InChIKey of 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione?
The InChIKey is FTDHIHLUZLVXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-5-6-10-12(17-9)15(20)13(11(16)14(10)19)18-7-3-2-4-8-18/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione?
6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione has a molecular weight of 290.75 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione is sourced from PubChem (CID 155526859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).