1-(quinolin-8-ylmethyl)indole-2,3-dione

C18H12N2O2 — CID 3008305

IUPAC1-(quinolin-8-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C18H12N2O2/c21-17-14-8-1-2-9-15(14)20(18(17)22)11-13-6-3-5-12-7-4-10-19-16(12)13/h1-10H,11H2
InChIKeyRDKDNZGNVLOSBR-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.96
Rot. Bonds2

About 1-(quinolin-8-ylmethyl)indole-2,3-dione

1-(quinolin-8-ylmethyl)indole-2,3-dione (PubChem CID 3008305) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)indole-2,3-dione
PubChem CID3008305
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name1-(quinolin-8-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc3cccnc23)c2ccccc21
InChIInChI=1S/C18H12N2O2/c21-17-14-8-1-2-9-15(14)20(18(17)22)11-13-6-3-5-12-7-4-10-19-16(12)13/h1-10H,11H2
InChIKeyRDKDNZGNVLOSBR-UHFFFAOYSA-N
XLogP2.96
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
2-[(2,3-dioxoindol-1-yl)methyl]benzoic acid
CID 43415538
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
CID 17492243
1-[(2-chloro-3-pyridinyl)methyl]benzo[cd]indol-2-one
CID 62471682
1-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]indole-2,3-dione
CID 112747255
3-(quinolin-8-ylmethyl)-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 18130482
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 9282637
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
N-(quinolin-8-ylmethyl)aniline
CID 28610045
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-[(3,4,5-trifluorophenyl)methyl]indole-2,3-dione
CID 129218578

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)indole-2,3-dione?
The IUPAC name of 1-(quinolin-8-ylmethyl)indole-2,3-dione (CID 3008305) is 1-(quinolin-8-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)indole-2,3-dione?
The canonical SMILES for 1-(quinolin-8-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2cccc3cccnc23)c2ccccc21.
What is the InChIKey of 1-(quinolin-8-ylmethyl)indole-2,3-dione?
The InChIKey is RDKDNZGNVLOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-14-8-1-2-9-15(14)20(18(17)22)11-13-6-3-5-12-7-4-10-19-16(12)13/h1-10H,11H2.
What are the key properties of 1-(quinolin-8-ylmethyl)indole-2,3-dione?
1-(quinolin-8-ylmethyl)indole-2,3-dione has a molecular weight of 288.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 3008305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).