1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone

C18H14N2O2 — CID 12515702

IUPAC1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone
SMILESCC(=O)c1cc2ccc3c(ccc4c(C(C)=O)c[nH]c43)c2[nH]1
InChIInChI=1S/C18H14N2O2/c1-9(21)15-8-19-18-13-4-3-11-7-16(10(2)22)20-17(11)12(13)5-6-14(15)18/h3-8,19-20H,1-2H3
InChIKeyQNZWGPOSOINCJH-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.21
Rot. Bonds2

About 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone

1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone (PubChem CID 12515702) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone
PubChem CID12515702
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone
SMILESCC(=O)c1cc2ccc3c(ccc4c(C(C)=O)c[nH]c43)c2[nH]1
InChIInChI=1S/C18H14N2O2/c1-9(21)15-8-19-18-13-4-3-11-7-16(10(2)22)20-17(11)12(13)5-6-14(15)18/h3-8,19-20H,1-2H3
InChIKeyQNZWGPOSOINCJH-UHFFFAOYSA-N
XLogP4.21
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135096
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
methyl 7-acetyl-1H-indole-2-carboxylate
CID 130131539
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
1H-benzo[g]indole-3-carboxylic acid
CID 12505804
2-[[1-(3-acetyl-1H-indol-5-yl)ethenylamino]carbamoyl]-1H-indole-7-carboxylic acid
CID 5155941
1H-benzo[g]indole-2-carboxylic acid
CID 645288
1-(5-sulfanyl-1H-indol-3-yl)ethanone
CID 163965860
3-acetyl-5-propan-2-yl-1H-indole-7-carboxylic acid
CID 83948065
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
1-(3,6,8-triacetylpyren-1-yl)ethanone
CID 102339183
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone?
The IUPAC name of 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone (CID 12515702) is 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone.
What is the SMILES notation for 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone?
The canonical SMILES for 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone is CC(=O)c1cc2ccc3c(ccc4c(C(C)=O)c[nH]c43)c2[nH]1.
What is the InChIKey of 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone?
The InChIKey is QNZWGPOSOINCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-9(21)15-8-19-18-13-4-3-11-7-16(10(2)22)20-17(11)12(13)5-6-14(15)18/h3-8,19-20H,1-2H3.
What are the key properties of 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone?
1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone has a molecular weight of 290.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-3,8-dihydroindolo[7,6-g]indol-2-yl)ethanone is sourced from PubChem (CID 12515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).