3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione

C17H10BrNO3 — CID 141418126

IUPAC3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(=O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C17H10BrNO3/c1-22-9-3-5-10-12(7-9)16(20)14-11-4-2-8(18)6-13(11)19-17(21)15(10)14/h2-7H,1H3,(H,19,21)
InChIKeyLNLUERSDSCCAJS-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.51
Rot. Bonds1

About 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione

3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione (PubChem CID 141418126) has the molecular formula C17H10BrNO3 and a molecular weight of 356.18 g/mol. Its IUPAC name is 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione.

Molecular Properties

Compound Name3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
PubChem CID141418126
Molecular FormulaC17H10BrNO3
Molecular Weight356.18 g/mol
Exact Mass354.98
IUPAC Name3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
SMILESCOc1ccc2c(c1)C(=O)c1c-2c(=O)[nH]c2cc(Br)ccc12
InChIInChI=1S/C17H10BrNO3/c1-22-9-3-5-10-12(7-9)16(20)14-11-4-2-8(18)6-13(11)19-17(21)15(10)14/h2-7H,1H3,(H,19,21)
InChIKeyLNLUERSDSCCAJS-UHFFFAOYSA-N
XLogP3.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione?
The IUPAC name of 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione (CID 141418126) is 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione.
What is the SMILES notation for 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione?
The canonical SMILES for 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione is COc1ccc2c(c1)C(=O)c1c-2c(=O)[nH]c2cc(Br)ccc12.
What is the InChIKey of 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione?
The InChIKey is LNLUERSDSCCAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO3/c1-22-9-3-5-10-12(7-9)16(20)14-11-4-2-8(18)6-13(11)19-17(21)15(10)14/h2-7H,1H3,(H,19,21).
What are the key properties of 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione?
3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione has a molecular weight of 356.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione is sourced from PubChem (CID 141418126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).