1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid

C14H11N3O3 — CID 20564285

IUPAC1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(N)c2c2cccnc12
InChIInChI=1S/C14H11N3O3/c1-20-11-6-9-12(7-3-2-4-16-13(7)11)8(15)5-10(17-9)14(18)19/h2-6H,1H3,(H2,15,17)(H,18,19)
InChIKeySOSCTKPRXBYVQD-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.07
Rot. Bonds2

About 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid

1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid (PubChem CID 20564285) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid
PubChem CID20564285
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(N)c2c2cccnc12
InChIInChI=1S/C14H11N3O3/c1-20-11-6-9-12(7-3-2-4-16-13(7)11)8(15)5-10(17-9)14(18)19/h2-6H,1H3,(H2,15,17)(H,18,19)
InChIKeySOSCTKPRXBYVQD-UHFFFAOYSA-N
XLogP2.07
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
5-methoxy-1,7-phenanthroline
CID 67576947
7-methoxyquinoline-8-carboxylic acid
CID 68774583
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
6-methoxyquinoline-7-carboxylic acid
CID 131314399
1,5-dimethoxyisoquinoline-3-carboxylic acid
CID 57440903
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
CID 107623316
5-amino-6-quinolin-8-yloxypyridine-2-carboxylic acid
CID 114408715
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
CID 107579495
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid?
The IUPAC name of 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid (CID 20564285) is 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid.
What is the SMILES notation for 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid?
The canonical SMILES for 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid is COc1cc2nc(C(=O)O)cc(N)c2c2cccnc12.
What is the InChIKey of 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid?
The InChIKey is SOSCTKPRXBYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-11-6-9-12(7-3-2-4-16-13(7)11)8(15)5-10(17-9)14(18)19/h2-6H,1H3,(H2,15,17)(H,18,19).
What are the key properties of 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid?
1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methoxy-4,7-phenanthroline-3-carboxylic acid is sourced from PubChem (CID 20564285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).