4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione

C21H30N4O2 — CID 2296326

IUPAC4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione
SMILESCCN(CC)CCNc1cc(C)nc2c1C(=O)C(=O)C=C2N1CCCCC1
InChIInChI=1S/C21H30N4O2/c1-4-24(5-2)12-9-22-16-13-15(3)23-20-17(25-10-7-6-8-11-25)14-18(26)21(27)19(16)20/h13-14H,4-12H2,1-3H3,(H,22,23)
InChIKeyDHOKHBXNKDRFNT-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione

4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione (PubChem CID 2296326) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione
PubChem CID2296326
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione
SMILESCCN(CC)CCNc1cc(C)nc2c1C(=O)C(=O)C=C2N1CCCCC1
InChIInChI=1S/C21H30N4O2/c1-4-24(5-2)12-9-22-16-13-15(3)23-20-17(25-10-7-6-8-11-25)14-18(26)21(27)19(16)20/h13-14H,4-12H2,1-3H3,(H,22,23)
InChIKeyDHOKHBXNKDRFNT-UHFFFAOYSA-N
XLogP2.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione (CID 2296326) is 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione is CCN(CC)CCNc1cc(C)nc2c1C(=O)C(=O)C=C2N1CCCCC1.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione?
The InChIKey is DHOKHBXNKDRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-24(5-2)12-9-22-16-13-15(3)23-20-17(25-10-7-6-8-11-25)14-18(26)21(27)19(16)20/h13-14H,4-12H2,1-3H3,(H,22,23).
What are the key properties of 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione?
4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione has a molecular weight of 370.50 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-2-methyl-8-piperidin-1-ylquinoline-5,6-dione is sourced from PubChem (CID 2296326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).