2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione

C17H10N2O2 — CID 854265

IUPAC2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccnc1
InChIInChI=1S/C17H10N2O2/c20-16-13-7-1-4-11-5-2-8-14(15(11)13)17(21)19(16)12-6-3-9-18-10-12/h1-10H
InChIKeyFBGCPAMAMAAIOG-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.04
Rot. Bonds1

About 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione

2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 854265) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID854265
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccnc1
InChIInChI=1S/C17H10N2O2/c20-16-13-7-1-4-11-5-2-8-14(15(11)13)17(21)19(16)12-6-3-9-18-10-12/h1-10H
InChIKeyFBGCPAMAMAAIOG-UHFFFAOYSA-N
XLogP3.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-Pgdh-IN-1
CID 135300446
6-Nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione
CID 305244
5-tert-butyl-1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 2801003
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
3-aminobenzo[c][1,5]naphthyridin-6(5H)-one
CID 16221809
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-6-carboxamide
CID 24769156
6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25147691
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
N-(pyridin-3-yl)biphenyl-2-carboxamide
CID 679747
N-(pyridin-4-yl)naphthalene-1-carboxamide
CID 854749
(2S)-2-amino-3-(naphthalen-1-yl)-N-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}propanamide
CID 23646978
N-(4-fluorobenzyl)-N-(pyridin-4-yl)-2-naphthamide
CID 46886448

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione (CID 854265) is 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1cccnc1.
What is the InChIKey of 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is FBGCPAMAMAAIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c20-16-13-7-1-4-11-5-2-8-14(15(11)13)17(21)19(16)12-6-3-9-18-10-12/h1-10H.
What are the key properties of 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione?
2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 274.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 854265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).