acridino[5,6-b]quinoline-3,10-dicarboxylic acid

C22H12N2O4 — CID 91152992

IUPACacridino[5,6-b]quinoline-3,10-dicarboxylic acid
SMILESO=C(O)c1ccc2nc3c(ccc4cc5cc(C(=O)O)ccc5nc43)cc2c1
InChIInChI=1S/C22H12N2O4/c25-21(26)13-3-5-17-15(9-13)7-11-1-2-12-8-16-10-14(22(27)28)4-6-18(16)24-20(12)19(11)23-17/h1-10H,(H,25,26)(H,27,28)
InChIKeyLBHLCOVWICUBOX-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.49
Rot. Bonds2

About acridino[5,6-b]quinoline-3,10-dicarboxylic acid

acridino[5,6-b]quinoline-3,10-dicarboxylic acid (PubChem CID 91152992) has the molecular formula C22H12N2O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is acridino[5,6-b]quinoline-3,10-dicarboxylic acid.

Molecular Properties

Compound Nameacridino[5,6-b]quinoline-3,10-dicarboxylic acid
PubChem CID91152992
Molecular FormulaC22H12N2O4
Molecular Weight368.35 g/mol
Exact Mass368.08
IUPAC Nameacridino[5,6-b]quinoline-3,10-dicarboxylic acid
SMILESO=C(O)c1ccc2nc3c(ccc4cc5cc(C(=O)O)ccc5nc43)cc2c1
InChIInChI=1S/C22H12N2O4/c25-21(26)13-3-5-17-15(9-13)7-11-1-2-12-8-16-10-14(22(27)28)4-6-18(16)24-20(12)19(11)23-17/h1-10H,(H,25,26)(H,27,28)
InChIKeyLBHLCOVWICUBOX-UHFFFAOYSA-N
XLogP4.49
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
cinnoline-7-carboxylic acid
CID 115014244
2-amino-3-bromoquinoline-6-carboxylic acid
CID 156830315
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
hexacene-2-carboxylic acid
CID 87430666
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097

Frequently Asked Questions

What is the IUPAC name of acridino[5,6-b]quinoline-3,10-dicarboxylic acid?
The IUPAC name of acridino[5,6-b]quinoline-3,10-dicarboxylic acid (CID 91152992) is acridino[5,6-b]quinoline-3,10-dicarboxylic acid.
What is the SMILES notation for acridino[5,6-b]quinoline-3,10-dicarboxylic acid?
The canonical SMILES for acridino[5,6-b]quinoline-3,10-dicarboxylic acid is O=C(O)c1ccc2nc3c(ccc4cc5cc(C(=O)O)ccc5nc43)cc2c1.
What is the InChIKey of acridino[5,6-b]quinoline-3,10-dicarboxylic acid?
The InChIKey is LBHLCOVWICUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4/c25-21(26)13-3-5-17-15(9-13)7-11-1-2-12-8-16-10-14(22(27)28)4-6-18(16)24-20(12)19(11)23-17/h1-10H,(H,25,26)(H,27,28).
What are the key properties of acridino[5,6-b]quinoline-3,10-dicarboxylic acid?
acridino[5,6-b]quinoline-3,10-dicarboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridino[5,6-b]quinoline-3,10-dicarboxylic acid is sourced from PubChem (CID 91152992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).