1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone

C19H16N2O — CID 177460803

IUPAC1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)cc1c3ccc(C)cc3nc-1n2C
InChIInChI=1S/C19H16N2O/c1-11-4-6-15-16-10-14-9-13(12(2)22)5-7-18(14)21(3)19(16)20-17(15)8-11/h4-10H,1-3H3
InChIKeyZEQNOMRSQNYDET-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.34
Rot. Bonds1

About 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone

1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone (PubChem CID 177460803) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone
PubChem CID177460803
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)cc1c3ccc(C)cc3nc-1n2C
InChIInChI=1S/C19H16N2O/c1-11-4-6-15-16-10-14-9-13(12(2)22)5-7-18(14)21(3)19(16)20-17(15)8-11/h4-10H,1-3H3
InChIKeyZEQNOMRSQNYDET-UHFFFAOYSA-N
XLogP4.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-3,7-dimethylquinazolin-4-one
CID 84784682
1-(2-chloro-1-methylbenzimidazol-5-yl)ethanone
CID 83834351
1-[4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]-3-nitrophenyl]ethanone
CID 133480344
1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2-[2-(2,4-dimethylphenyl)phenyl]-N,1-dimethylbenzimidazole-5-carboxamide
CID 176978825
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
2-(1,5-dimethylbenzimidazol-2-yl)-N-methylaniline
CID 54920098
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
5-(1,5-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557786

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone?
The IUPAC name of 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone (CID 177460803) is 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone.
What is the SMILES notation for 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone?
The canonical SMILES for 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone is CC(=O)c1ccc2c(c1)cc1c3ccc(C)cc3nc-1n2C.
What is the InChIKey of 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone?
The InChIKey is ZEQNOMRSQNYDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-11-4-6-15-16-10-14-9-13(12(2)22)5-7-18(14)21(3)19(16)20-17(15)8-11/h4-10H,1-3H3.
What are the key properties of 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone?
1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone has a molecular weight of 288.35 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dimethylindolo[2,3-b]quinolin-2-yl)ethanone is sourced from PubChem (CID 177460803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).