benzo[h]quinoline-6,7-dicarboxylic acid

C15H9NO4 — CID 67796843

IUPACbenzo[h]quinoline-6,7-dicarboxylic acid
SMILESO=C(O)c1cccc2c1c(C(=O)O)cc1cccnc12
InChIInChI=1S/C15H9NO4/c17-14(18)10-5-1-4-9-12(10)11(15(19)20)7-8-3-2-6-16-13(8)9/h1-7H,(H,17,18)(H,19,20)
InChIKeyPSYVHYALCCWMNL-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.78
Rot. Bonds2

About benzo[h]quinoline-6,7-dicarboxylic acid

benzo[h]quinoline-6,7-dicarboxylic acid (PubChem CID 67796843) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is benzo[h]quinoline-6,7-dicarboxylic acid.

Molecular Properties

Compound Namebenzo[h]quinoline-6,7-dicarboxylic acid
PubChem CID67796843
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Namebenzo[h]quinoline-6,7-dicarboxylic acid
SMILESO=C(O)c1cccc2c1c(C(=O)O)cc1cccnc12
InChIInChI=1S/C15H9NO4/c17-14(18)10-5-1-4-9-12(10)11(15(19)20)7-8-3-2-6-16-13(8)9/h1-7H,(H,17,18)(H,19,20)
InChIKeyPSYVHYALCCWMNL-UHFFFAOYSA-N
XLogP2.78
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-nitrobenzo[h]quinoline-6,7-dicarboxylic acid
CID 139707018
palladium;quinoline-8-carboxylic acid
CID 174945118
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
3-iodoquinoline-8-carboxylic acid
CID 130624702
6-(trifluoromethyl)quinoline-8-carboxylic acid
CID 129318996
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
quinoline-7,8-dicarboxylic acid
CID 19101920
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156
(3-carboxy-2-pyridinyl)astatine
CID 174507208
3,18-diazahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1,3,5,7,9(23),10,12(24),13,15,17,19,21-dodecaene
CID 27931

Frequently Asked Questions

What is the IUPAC name of benzo[h]quinoline-6,7-dicarboxylic acid?
The IUPAC name of benzo[h]quinoline-6,7-dicarboxylic acid (CID 67796843) is benzo[h]quinoline-6,7-dicarboxylic acid.
What is the SMILES notation for benzo[h]quinoline-6,7-dicarboxylic acid?
The canonical SMILES for benzo[h]quinoline-6,7-dicarboxylic acid is O=C(O)c1cccc2c1c(C(=O)O)cc1cccnc12.
What is the InChIKey of benzo[h]quinoline-6,7-dicarboxylic acid?
The InChIKey is PSYVHYALCCWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-14(18)10-5-1-4-9-12(10)11(15(19)20)7-8-3-2-6-16-13(8)9/h1-7H,(H,17,18)(H,19,20).
What are the key properties of benzo[h]quinoline-6,7-dicarboxylic acid?
benzo[h]quinoline-6,7-dicarboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinoline-6,7-dicarboxylic acid is sourced from PubChem (CID 67796843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).