8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid

C16H10BrNO3 — CID 115466648

IUPAC8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Br)cc13)-c1ccoc1CC2
InChIInChI=1S/C16H10BrNO3/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20)
InChIKeyHXTZBDHCQHLABX-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.05
Rot. Bonds1

About 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid

8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid (PubChem CID 115466648) has the molecular formula C16H10BrNO3 and a molecular weight of 344.16 g/mol. Its IUPAC name is 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid.

Molecular Properties

Compound Name8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid
PubChem CID115466648
Molecular FormulaC16H10BrNO3
Molecular Weight344.16 g/mol
Exact Mass342.98
IUPAC Name8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Br)cc13)-c1ccoc1CC2
InChIInChI=1S/C16H10BrNO3/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20)
InChIKeyHXTZBDHCQHLABX-UHFFFAOYSA-N
XLogP4.05
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-bromo-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 63463135
8-chloro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 63462640
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
9-fluoro-3-phenyl-5,6-dihydrobenzo[c]acridine-7-carboxylic acid
CID 14773532
1-(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanone
CID 82451324
2-cyclopropyl-5,6-dihydrofuro[2,3-h]quinoline-3-carboxylic acid
CID 116533758
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
6-bromo-2-(2-methoxyphenyl)-3-methylquinoline-4-carboxylic acid
CID 176682695
6-bromo-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
CID 43121522
2,6-dibromoanthracene-9,10-dicarboxylic acid
CID 141473473
9-fluoro-4,5-dihydrothieno[2,3-c]acridine-6-carboxylic acid
CID 62842113
23-thia-3-azahexacyclo[12.11.0.02,11.04,9.016,24.017,22]pentacosa-1(25),2,4,6,8,10,14,16(24),17,19,21-undecaene-10-carboxylic acid
CID 15713947

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid?
The IUPAC name of 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid (CID 115466648) is 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid.
What is the SMILES notation for 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid?
The canonical SMILES for 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid is O=C(O)c1c2c(nc3ccc(Br)cc13)-c1ccoc1CC2.
What is the InChIKey of 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid?
The InChIKey is HXTZBDHCQHLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO3/c17-8-1-3-12-11(7-8)14(16(19)20)10-2-4-13-9(5-6-21-13)15(10)18-12/h1,3,5-7H,2,4H2,(H,19,20).
What are the key properties of 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid?
8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid has a molecular weight of 344.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4,5-dihydrofuro[2,3-c]acridine-6-carboxylic acid is sourced from PubChem (CID 115466648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).