5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H13N3O3 — CID 136602231

IUPAC5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(O)cc1)c1ccncc12
InChIInChI=1S/C19H13N3O3/c23-13-4-2-12(3-5-13)21-18-15-7-8-20-10-16(15)14-6-1-11(19(24)25)9-17(14)22-18/h1-10,23H,(H,21,22)(H,24,25)
InChIKeyURLVYGUZDZMMTH-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.93
Rot. Bonds3

About 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 136602231) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID136602231
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccc(O)cc1)c1ccncc12
InChIInChI=1S/C19H13N3O3/c23-13-4-2-12(3-5-13)21-18-15-7-8-20-10-16(15)14-6-1-11(19(24)25)9-17(14)22-18/h1-10,23H,(H,21,22)(H,24,25)
InChIKeyURLVYGUZDZMMTH-UHFFFAOYSA-N
XLogP3.93
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 53326156
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CID 25222170
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CID 50942446
CID 50942446
CID 23647266
CID 23647266
CID 25002772
CID 25002772
CID 57396761
CID 57396761
CID 72200352
CID 72200352
CID 25253303
CID 25253303
CID 25253460
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CID 50942245
CID 50942245

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 136602231) is 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccc(O)cc1)c1ccncc12.
What is the InChIKey of 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is URLVYGUZDZMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-13-4-2-12(3-5-13)21-18-15-7-8-20-10-16(15)14-6-1-11(19(24)25)9-17(14)22-18/h1-10,23H,(H,21,22)(H,24,25).
What are the key properties of 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 136602231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).