1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone

C21H21NO — CID 15458741

IUPAC1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Cc1cc3c(cc1-2)C(C)=CC(C)(C)N3
InChIInChI=1S/C21H21NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-7,9-11,22H,8H2,1-4H3
InChIKeyQROLJIOISIOIPO-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.07
Rot. Bonds1

About 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone

1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone (PubChem CID 15458741) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone
PubChem CID15458741
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)Cc1cc3c(cc1-2)C(C)=CC(C)(C)N3
InChIInChI=1S/C21H21NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-7,9-11,22H,8H2,1-4H3
InChIKeyQROLJIOISIOIPO-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone?
The IUPAC name of 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone (CID 15458741) is 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone.
What is the SMILES notation for 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone?
The canonical SMILES for 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone is CC(=O)c1ccc2c(c1)Cc1cc3c(cc1-2)C(C)=CC(C)(C)N3.
What is the InChIKey of 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone?
The InChIKey is QROLJIOISIOIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-7,9-11,22H,8H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone?
1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinolin-8-yl)ethanone is sourced from PubChem (CID 15458741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).