2-anilinobenzo[b][1,8]naphthyridin-3-ol

C18H13N3O — CID 67843543

IUPAC2-anilinobenzo[b][1,8]naphthyridin-3-ol
SMILESOc1cc2cc3ccccc3nc2nc1Nc1ccccc1
InChIInChI=1S/C18H13N3O/c22-16-11-13-10-12-6-4-5-9-15(12)20-17(13)21-18(16)19-14-7-2-1-3-8-14/h1-11,22H,(H,19,20,21)
InChIKeyGWNDVGKGPPTATE-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.23
Rot. Bonds2

About 2-anilinobenzo[b][1,8]naphthyridin-3-ol

2-anilinobenzo[b][1,8]naphthyridin-3-ol (PubChem CID 67843543) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-anilinobenzo[b][1,8]naphthyridin-3-ol.

Molecular Properties

Compound Name2-anilinobenzo[b][1,8]naphthyridin-3-ol
PubChem CID67843543
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-anilinobenzo[b][1,8]naphthyridin-3-ol
SMILESOc1cc2cc3ccccc3nc2nc1Nc1ccccc1
InChIInChI=1S/C18H13N3O/c22-16-11-13-10-12-6-4-5-9-15(12)20-17(13)21-18(16)19-14-7-2-1-3-8-14/h1-11,22H,(H,19,20,21)
InChIKeyGWNDVGKGPPTATE-UHFFFAOYSA-N
XLogP4.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilinobenzo[b][1,8]naphthyridin-3-ol?
The IUPAC name of 2-anilinobenzo[b][1,8]naphthyridin-3-ol (CID 67843543) is 2-anilinobenzo[b][1,8]naphthyridin-3-ol.
What is the SMILES notation for 2-anilinobenzo[b][1,8]naphthyridin-3-ol?
The canonical SMILES for 2-anilinobenzo[b][1,8]naphthyridin-3-ol is Oc1cc2cc3ccccc3nc2nc1Nc1ccccc1.
What is the InChIKey of 2-anilinobenzo[b][1,8]naphthyridin-3-ol?
The InChIKey is GWNDVGKGPPTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-16-11-13-10-12-6-4-5-9-15(12)20-17(13)21-18(16)19-14-7-2-1-3-8-14/h1-11,22H,(H,19,20,21).
What are the key properties of 2-anilinobenzo[b][1,8]naphthyridin-3-ol?
2-anilinobenzo[b][1,8]naphthyridin-3-ol has a molecular weight of 287.32 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinobenzo[b][1,8]naphthyridin-3-ol is sourced from PubChem (CID 67843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).