5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid

Name: 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₂ClN₃O₂ — CID 50942728

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid

SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cnccc12

InChIInChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-16-10-21-7-6-14(16)15-5-4-11(19(24)25)8-17(15)23-18/h1-10H,(H,22,23)(H,24,25)

InChIKeyNTYUIJAFCGHSCF-UHFFFAOYSA-N

MW349.78 g/mol

LogP4.88

Rot. Bonds3

About 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid

5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid (PubChem CID 50942728) has the molecular formula C₁₉H₁₂ClN₃O₂ and a molecular weight of 349.78 g/mol. Its IUPAC name is 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name	5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid
PubChem CID	50942728
Molecular Formula	C₁₉H₁₂ClN₃O₂
Molecular Weight	349.78 g/mol
Exact Mass	349.06
IUPAC Name	5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid
SMILES	O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cnccc12
InChI	InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-16-10-21-7-6-14(16)15-5-4-11(19(24)25)8-17(15)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKey	NTYUIJAFCGHSCF-UHFFFAOYSA-N
XLogP	4.88
TPSA	75.11 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.78
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid?

The IUPAC name of 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid (CID 50942728) is 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid.

What is the SMILES notation for 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid?

The canonical SMILES for 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cnccc12.

What is the InChIKey of 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid?

The InChIKey is NTYUIJAFCGHSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-16-10-21-7-6-14(16)15-5-4-11(19(24)25)8-17(15)23-18/h1-10H,(H,22,23)(H,24,25).

What are the key properties of 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid?

5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid has a molecular weight of 349.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloroanilino)benzo[c][2,7]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50942728 — identifiers, structure, computed properties (public domain)

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