5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid

C19H13N3O2 — CID 50942725

IUPAC5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12
InChIInChI=1S/C19H13N3O2/c23-19(24)12-8-9-14-16(11-12)22-18(15-7-4-10-20-17(14)15)21-13-5-2-1-3-6-13/h1-11H,(H,21,22)(H,23,24)
InChIKeyBLFIBJASYWMFTO-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.22
Rot. Bonds3

About 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid

5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid (PubChem CID 50942725) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid
PubChem CID50942725
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12
InChIInChI=1S/C19H13N3O2/c23-19(24)12-8-9-14-16(11-12)22-18(15-7-4-10-20-17(14)15)21-13-5-2-1-3-6-13/h1-11H,(H,21,22)(H,23,24)
InChIKeyBLFIBJASYWMFTO-UHFFFAOYSA-N
XLogP4.22
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.22
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-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid (CID 50942725) is 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1cccnc12.
What is the InChIKey of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?
The InChIKey is BLFIBJASYWMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)12-8-9-14-16(11-12)22-18(15-7-4-10-20-17(14)15)21-13-5-2-1-3-6-13/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid?
5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinobenzo[h][1,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 50942725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).