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

C19H12FN3O2 — CID 50942443

IUPAC5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12
InChIInChI=1S/C19H12FN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyROVRRTZZCDGHGR-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.36
Rot. Bonds3

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

5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942443) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942443
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12
InChIInChI=1S/C19H12FN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyROVRRTZZCDGHGR-UHFFFAOYSA-N
XLogP4.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Silmitasertib
CID 24748573
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
5-(3-Ethynylphenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 53326156
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
CX-5279
CID 72200387
3-(Cyclopropylamino)-5-(3-(trifluoromethyl)phenylamino)pyrimido(4,5-c)quinoline-8-carboxylic acid
CID 49779959
3-(Cyclopropylamino)-5-phenylpyrimido[4,5-c]quinoline-8-carboxylic acid
CID 25222170
5-[(4-Chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic acid
CID 50942446
2,2-Difluoroethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861578
2-Iodoethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861582
2-Hydroxyethyl 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 156861586

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942443) is 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12.
What is the InChIKey of 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is ROVRRTZZCDGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 333.32 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).