7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C14H12BrNO2 — CID 710476

IUPAC7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18)
InChIKeyINXRKMNRRUIKBF-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.57
Rot. Bonds1

About 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid

7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 710476) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID710476
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18)
InChIKeyINXRKMNRRUIKBF-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 230595
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
6-Methyl-2-phenylquinoline-4-carboxylic acid
CID 698707
2-([1,1'-Biphenyl]-4-yl)quinoline-4-carboxylic Acid
CID 2063288
Acridine-9-carboxylic acid
CID 94721
2-Chloroquinoline-4-carboxylic acid
CID 230582
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CID 673699

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 710476) is 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccc(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is INXRKMNRRUIKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-8-5-6-12-10(7-8)13(14(17)18)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H,17,18).
What are the key properties of 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 306.16 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 710476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).