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

C20H14ClN3O2 — CID 57396210

IUPAC5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCN(c1cccc(Cl)c1)c1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C20H14ClN3O2/c1-24(14-4-2-3-13(21)10-14)19-16-7-8-22-11-17(16)15-6-5-12(20(25)26)9-18(15)23-19/h2-11H,1H3,(H,25,26)
InChIKeyAJHIBRVOSKJYNP-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.90
Rot. Bonds3

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

5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57396210) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57396210
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESCN(c1cccc(Cl)c1)c1nc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C20H14ClN3O2/c1-24(14-4-2-3-13(21)10-14)19-16-7-8-22-11-17(16)15-6-5-12(20(25)26)9-18(15)23-19/h2-11H,1H3,(H,25,26)
InChIKeyAJHIBRVOSKJYNP-UHFFFAOYSA-N
XLogP4.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57396210) is 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is CN(c1cccc(Cl)c1)c1nc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is AJHIBRVOSKJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-24(14-4-2-3-13(21)10-14)19-16-7-8-22-11-17(16)15-6-5-12(20(25)26)9-18(15)23-19/h2-11H,1H3,(H,25,26).
What are the key properties of 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-N-methylanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57396210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).