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

C19H11ClN2O2 — CID 25253151

IUPAC5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
InChIKeyZDVURXSHLHGWLN-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.80
Rot. Bonds2

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

5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 25253151) 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-8-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID25253151
Molecular FormulaC19H11ClN2O2
Molecular Weight334.76 g/mol
Exact Mass334.05
IUPAC Name5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
InChIKeyZDVURXSHLHGWLN-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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Related Compounds

Silmitasertib
CID 24748573
4-Quinolinecarboxylic acid
CID 10243
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-2-yl)quinoline-4-carboxylic acid
CID 24103
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
5-(5-Chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252840
5-[(4-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CID 50942446
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
2-(2-Chlorophenyl)quinoline-4-carboxylic acid
CID 269171
2-(3-Chlorophenyl)-3-methylquinoline-4-carboxylic acid
CID 874719
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxamide
CID 57394445

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 25253151) is 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc12.
What is the InChIKey of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is ZDVURXSHLHGWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(4-chlorophenyl)benzo[c][2,6]naphthyridine-8-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-8-carboxylic acid is sourced from PubChem (CID 25253151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).