5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H11ClN2O3 — CID 57394448

IUPAC5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H11ClN2O3/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24)
InChIKeyPMIJZUTXMUIHNA-UHFFFAOYSA-N
MW350.76 g/mol
LogP4.93
Rot. Bonds3

About 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57394448) has the molecular formula C19H11ClN2O3 and a molecular weight of 350.76 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57394448
Molecular FormulaC19H11ClN2O3
Molecular Weight350.76 g/mol
Exact Mass350.05
IUPAC Name5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H11ClN2O3/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24)
InChIKeyPMIJZUTXMUIHNA-UHFFFAOYSA-N
XLogP4.93
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 54.93
H-Bond Donors ≤ 51
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-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57394448) is 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is PMIJZUTXMUIHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O3/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24).
What are the key properties of 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 350.76 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57394448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).