6,11-dihydrobenzo[b]acridine-12-carboxylic acid

C18H13NO2 — CID 4565367

IUPAC6,11-dihydrobenzo[b]acridine-12-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)Cc1ccccc1C2
InChIInChI=1S/C18H13NO2/c20-18(21)17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-8H,9-10H2,(H,20,21)
InChIKeyJMXYPJGCQBJVAZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.43
Rot. Bonds1

About 6,11-dihydrobenzo[b]acridine-12-carboxylic acid

6,11-dihydrobenzo[b]acridine-12-carboxylic acid (PubChem CID 4565367) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6,11-dihydrobenzo[b]acridine-12-carboxylic acid.

Molecular Properties

Compound Name6,11-dihydrobenzo[b]acridine-12-carboxylic acid
PubChem CID4565367
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name6,11-dihydrobenzo[b]acridine-12-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)Cc1ccccc1C2
InChIInChI=1S/C18H13NO2/c20-18(21)17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-8H,9-10H2,(H,20,21)
InChIKeyJMXYPJGCQBJVAZ-UHFFFAOYSA-N
XLogP3.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
2-fluoro-11H-indeno[1,2-b]quinoline-10-carboxylic acid
CID 116531149
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-ethoxycarbonyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-11-carboxylic acid
CID 152744887
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 5004878
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 64775542
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[b]acridine-12-carboxylic acid?
The IUPAC name of 6,11-dihydrobenzo[b]acridine-12-carboxylic acid (CID 4565367) is 6,11-dihydrobenzo[b]acridine-12-carboxylic acid.
What is the SMILES notation for 6,11-dihydrobenzo[b]acridine-12-carboxylic acid?
The canonical SMILES for 6,11-dihydrobenzo[b]acridine-12-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)Cc1ccccc1C2.
What is the InChIKey of 6,11-dihydrobenzo[b]acridine-12-carboxylic acid?
The InChIKey is JMXYPJGCQBJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)17-13-7-3-4-8-15(13)19-16-10-12-6-2-1-5-11(12)9-14(16)17/h1-8H,9-10H2,(H,20,21).
What are the key properties of 6,11-dihydrobenzo[b]acridine-12-carboxylic acid?
6,11-dihydrobenzo[b]acridine-12-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[b]acridine-12-carboxylic acid is sourced from PubChem (CID 4565367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).