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

C20H15N3O2 — CID 50942345

IUPAC5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12
InChIInChI=1S/C20H15N3O2/c24-20(25)14-6-7-15-17-12-21-9-8-16(17)19(23-18(15)10-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25)
InChIKeyQWIQBQDSYRRBAO-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.09
Rot. Bonds4

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

5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 50942345) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID50942345
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12
InChIInChI=1S/C20H15N3O2/c24-20(25)14-6-7-15-17-12-21-9-8-16(17)19(23-18(15)10-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25)
InChIKeyQWIQBQDSYRRBAO-UHFFFAOYSA-N
XLogP4.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 50942345) is 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12.
What is the InChIKey of 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is QWIQBQDSYRRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(25)14-6-7-15-17-12-21-9-8-16(17)19(23-18(15)10-14)22-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,23)(H,24,25).
What are the key properties of 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).