5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid

C19H11ClN2O2 — CID 57394447

IUPAC5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2/c20-12-6-4-11(5-7-12)17-14-8-9-21-10-16(14)13-2-1-3-15(19(23)24)18(13)22-17/h1-10H,(H,23,24)
InChIKeyPIYRCLWKQVPONG-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.80
Rot. Bonds2

About 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid

5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid (PubChem CID 57394447) has the molecular formula C19H11ClN2O2 and a molecular weight of 334.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid
PubChem CID57394447
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2/c20-12-6-4-11(5-7-12)17-14-8-9-21-10-16(14)13-2-1-3-15(19(23)24)18(13)22-17/h1-10H,(H,23,24)
InChIKeyPIYRCLWKQVPONG-UHFFFAOYSA-N
XLogP4.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid (CID 57394447) is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid is O=C(O)c1cccc2c1nc(-c1ccc(Cl)cc1)c1ccncc12.
What is the InChIKey of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid?
The InChIKey is PIYRCLWKQVPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-12-6-4-11(5-7-12)17-14-8-9-21-10-16(14)13-2-1-3-15(19(23)24)18(13)22-17/h1-10H,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid?
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid is sourced from PubChem (CID 57394447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).