5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid

C19H12ClN3O2 — CID 50941395

IUPAC5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H12ClN3O2/c20-11-3-1-4-12(9-11)22-18-14-7-8-21-10-16(14)13-5-2-6-15(19(24)25)17(13)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyAMEIMZMBRNKSJG-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.88
Rot. Bonds3

About 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid

5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid (PubChem CID 50941395) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid
PubChem CID50941395
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H12ClN3O2/c20-11-3-1-4-12(9-11)22-18-14-7-8-21-10-16(14)13-5-2-6-15(19(24)25)17(13)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyAMEIMZMBRNKSJG-UHFFFAOYSA-N
XLogP4.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid (CID 50941395) is 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid is O=C(O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The InChIKey is AMEIMZMBRNKSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-11-3-1-4-12(9-11)22-18-14-7-8-21-10-16(14)13-5-2-6-15(19(24)25)17(13)23-18/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid?
5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid has a molecular weight of 349.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-7-carboxylic acid is sourced from PubChem (CID 50941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).