6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione

C20H20N2O2 — CID 5121711

IUPAC6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
SMILESC=CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C20H20N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h2,6-10H,1,3-5,11-13H2
InChIKeyJQKXLCYWAVHNFU-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.61
Rot. Bonds3

About 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione

6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione (PubChem CID 5121711) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
PubChem CID5121711
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione
SMILESC=CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C20H20N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h2,6-10H,1,3-5,11-13H2
InChIKeyJQKXLCYWAVHNFU-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

Amonafide
CID 50515
4-Amino-1,8-naphthalimide
CID 1720
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Pigment Red 149
CID 62555
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol-2(1H)-one
CID 9843889
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
4-oxo-4-(piperidin-1-yl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide
CID 11639020
SARS-CoV-2 PLpro Inhibitor, 8
CID 156907157

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione (CID 5121711) is 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione is C=CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O.
What is the InChIKey of 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is JQKXLCYWAVHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h2,6-10H,1,3-5,11-13H2.
What are the key properties of 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione?
6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 320.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 5121711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).