2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione

C24H15NO2 — CID 831037

IUPAC6-naphthalen-2-yl-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESC1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5
InChIInChI=1S/C24H15NO2/c26-23-19-11-8-15-5-6-16-9-12-20(22(19)21(15)16)24(27)25(23)18-10-7-14-3-1-2-4-17(14)13-18/h1-4,7-13H,5-6H2
InChIKeyAXTWTHAKJDGTSI-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.30
Rot. Bonds1

About 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione

2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione (PubChem CID 831037) has the molecular formula C24H15NO2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 6-naphthalen-2-yl-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
PubChem CID831037
Molecular FormulaC24H15NO2
Molecular Weight349.40 g/mol
Exact Mass349.11
IUPAC Name6-naphthalen-2-yl-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESC1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5
InChIInChI=1S/C24H15NO2/c26-23-19-11-8-15-5-6-16-9-12-20(22(19)21(15)16)24(27)25(23)18-10-7-14-3-1-2-4-17(14)13-18/h1-4,7-13H,5-6H2
InChIKeyAXTWTHAKJDGTSI-UHFFFAOYSA-N
XLogP5.30
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity608

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione with MolForge

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Related Compounds

Pigment Red 149
CID 62555
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
C.I. Pigment Red 178
CID 62476
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
Solvent Yellow 44
CID 75589
2-(4-isopropyl-3-methylphenyl)-1,3(2H,4H)-isoquinolinedione
CID 3821462
Cnksnsxwtodism-uhfffaoysa-
CID 10570585
6-Chrysen-6-ylbenzo[d][2]benzazepine-5,7-dione
CID 278721
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-5-yl]acetamide
CID 9976748
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide
CID 10248886
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]-2,2-dimethylpropanamide
CID 10341910
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-4-yl]-2,2-dimethylpropanamide
CID 10364662

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione?
The IUPAC name of 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione (CID 831037) is 6-naphthalen-2-yl-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione?
The canonical SMILES for 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione is C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC6=CC=CC=C6C=C5.
What is the InChIKey of 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione?
The InChIKey is AXTWTHAKJDGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO2/c26-23-19-11-8-15-5-6-16-9-12-20(22(19)21(15)16)24(27)25(23)18-10-7-14-3-1-2-4-17(14)13-18/h1-4,7-13H,5-6H2.
What are the key properties of 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione?
2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione has a molecular weight of 349.40 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione is sourced from PubChem (CID 831037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).