quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid

C19H10N4O2 — CID 91524930

IUPACquinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c1nc3ccccc3nc1c1cccnc12
InChIInChI=1S/C19H10N4O2/c24-19(25)10-8-12-16(21-9-10)15-11(4-3-7-20-15)17-18(12)23-14-6-2-1-5-13(14)22-17/h1-9H,(H,24,25)
InChIKeyMBOAMMDOFDMNDK-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.58
Rot. Bonds1

About quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid

quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid (PubChem CID 91524930) has the molecular formula C19H10N4O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid.

Molecular Properties

Compound Namequinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid
PubChem CID91524930
Molecular FormulaC19H10N4O2
Molecular Weight326.32 g/mol
Exact Mass326.08
IUPAC Namequinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c1nc3ccccc3nc1c1cccnc12
InChIInChI=1S/C19H10N4O2/c24-19(25)10-8-12-16(21-9-10)15-11(4-3-7-20-15)17-18(12)23-14-6-2-1-5-13(14)22-17/h1-9H,(H,24,25)
InChIKeyMBOAMMDOFDMNDK-UHFFFAOYSA-N
XLogP3.58
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188
4-aminoquinoline-3-carboxylic Acid
CID 11651286
4-[(5,7-Dinitroquinolin-8-yl)amino]benzoic acid
CID 4018222
5-Pyridin-4-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57400204
4-[4-(2-Pyridin-2-ylquinolin-4-yl)piperazin-1-yl]benzoic acid
CID 73345794
2-Methyl-1,6-naphthyridine-3-carboxylic acid
CID 2736907
4-[4-[3-(4-Ethylpiperazin-1-yl)propylamino]anilino]quinoline-3-carboxylic acid
CID 122193527
1,10-Phenanthroline-2-carboxylic acid
CID 99561
3-(Naphth-2-yl)quinoxaline-5-carboxylic acid
CID 16740745
2-Phenyl-1,6-naphthyridine-3-carboxylic acid
CID 2760924
7-Methylquinoline-3-carboxylic acid
CID 17040043

Frequently Asked Questions

What is the IUPAC name of quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid?
The IUPAC name of quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid (CID 91524930) is quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid.
What is the SMILES notation for quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid?
The canonical SMILES for quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid is O=C(O)c1cnc2c(c1)c1nc3ccccc3nc1c1cccnc12.
What is the InChIKey of quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid?
The InChIKey is MBOAMMDOFDMNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N4O2/c24-19(25)10-8-12-16(21-9-10)15-11(4-3-7-20-15)17-18(12)23-14-6-2-1-5-13(14)22-17/h1-9H,(H,24,25).
What are the key properties of quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid?
quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid has a molecular weight of 326.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[2,3-f][1,10]phenanthroline-7-carboxylic acid is sourced from PubChem (CID 91524930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).