1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid

C15H14BrNO2 — CID 29279345

IUPAC1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
SMILESO=C(O)c1c2c(nc3cccc(Br)c13)CCCCC2
InChIInChI=1S/C15H14BrNO2/c16-10-6-4-8-12-14(10)13(15(18)19)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H,18,19)
InChIKeyLDOAOVTXMOWSEO-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.96
Rot. Bonds1

About 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid

1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (PubChem CID 29279345) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid.

Molecular Properties

Compound Name1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
PubChem CID29279345
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
SMILESO=C(O)c1c2c(nc3cccc(Br)c13)CCCCC2
InChIInChI=1S/C15H14BrNO2/c16-10-6-4-8-12-14(10)13(15(18)19)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H,18,19)
InChIKeyLDOAOVTXMOWSEO-UHFFFAOYSA-N
XLogP3.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The IUPAC name of 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid (CID 29279345) is 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid.
What is the SMILES notation for 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The canonical SMILES for 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid is O=C(O)c1c2c(nc3cccc(Br)c13)CCCCC2.
What is the InChIKey of 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
The InChIKey is LDOAOVTXMOWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-10-6-4-8-12-14(10)13(15(18)19)9-5-2-1-3-7-11(9)17-12/h4,6,8H,1-3,5,7H2,(H,18,19).
What are the key properties of 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid?
1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid has a molecular weight of 320.19 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid is sourced from PubChem (CID 29279345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).