8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline

C19H18BrN — CID 15458734

IUPAC8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3
InChIInChI=1S/C19H18BrN/c1-11-10-19(2,3)21-18-8-13-6-12-7-14(20)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,21H,6H2,1-3H3
InChIKeyGVOMUZMTQPGWTA-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.63
Rot. Bonds

About 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline

8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline (PubChem CID 15458734) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline.

Molecular Properties

Compound Name8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline
PubChem CID15458734
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline
SMILESCC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3
InChIInChI=1S/C19H18BrN/c1-11-10-19(2,3)21-18-8-13-6-12-7-14(20)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,21H,6H2,1-3H3
InChIKeyGVOMUZMTQPGWTA-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline?
The IUPAC name of 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline (CID 15458734) is 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline.
What is the SMILES notation for 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline?
The canonical SMILES for 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline is CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1C3.
What is the InChIKey of 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline?
The InChIKey is GVOMUZMTQPGWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-11-10-19(2,3)21-18-8-13-6-12-7-14(20)4-5-15(12)17(13)9-16(11)18/h4-5,7-10,21H,6H2,1-3H3.
What are the key properties of 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline?
8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline has a molecular weight of 340.26 g/mol, XLogP of 5.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2,4-trimethyl-1,10-dihydroindeno[1,2-g]quinoline is sourced from PubChem (CID 15458734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).