5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid

C19H11ClN2O2S — CID 57399601

IUPAC5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2S/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)
InChIKeyGOLCMMMGBUKKTR-UHFFFAOYSA-N
MW366.83 g/mol
LogP5.29
Rot. Bonds3

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

5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57399601) has the molecular formula C19H11ClN2O2S and a molecular weight of 366.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57399601
Molecular FormulaC19H11ClN2O2S
Molecular Weight366.83 g/mol
Exact Mass366.02
IUPAC Name5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc12
InChIInChI=1S/C19H11ClN2O2S/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)
InChIKeyGOLCMMMGBUKKTR-UHFFFAOYSA-N
XLogP5.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.83
LogP ≤ 55.29
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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Related Compounds

5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253151
5-(5-Chlorothiophen-2-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252840
5-Thiophen-3-ylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252996
4-[8-(3-Chloro-phenyl)-[1,7]naphthyridin-6-yl]-benzoic acid
CID 10451184
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992
5-(3-Chlorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252993
5-(2-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252995
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303
5-(3-Aminophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253460
5-(4-Methylthiophen-3-yl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25254090
5-(2-Methylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57394444

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57399601) is 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is GOLCMMMGBUKKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O2S/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-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 366.83 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfanylbenzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57399601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).