9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline

C19H18BrN — CID 15458732

IUPAC9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3
InChIInChI=1S/C19H18BrN/c1-11-10-19(2,3)21-17-7-6-15-14-5-4-13(20)8-12(14)9-16(15)18(11)17/h4-8,10,21H,9H2,1-3H3
InChIKeyHISNBUNMDWGCPZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.63
Rot. Bonds

About 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline

9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline (PubChem CID 15458732) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline.

Molecular Properties

Compound Name9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline
PubChem CID15458732
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3
InChIInChI=1S/C19H18BrN/c1-11-10-19(2,3)21-17-7-6-15-14-5-4-13(20)8-12(14)9-16(15)18(11)17/h4-8,10,21H,9H2,1-3H3
InChIKeyHISNBUNMDWGCPZ-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 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline?
The IUPAC name of 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline (CID 15458732) is 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline.
What is the SMILES notation for 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline?
The canonical SMILES for 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)Cc1cc(Br)ccc1-3.
What is the InChIKey of 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline?
The InChIKey is HISNBUNMDWGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-11-10-19(2,3)21-17-7-6-15-14-5-4-13(20)8-12(14)9-16(15)18(11)17/h4-8,10,21H,9H2,1-3H3.
What are the key properties of 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline?
9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]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 9-bromo-1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline is sourced from PubChem (CID 15458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).