8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one

C13H10N2O3 — CID 134331302

IUPAC8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one
SMILESO=c1[nH]c2cc(C(O)O)ccc2c2ccncc12
InChIInChI=1S/C13H10N2O3/c16-12-10-6-14-4-3-8(10)9-2-1-7(13(17)18)5-11(9)15-12/h1-6,13,17-18H,(H,15,16)
InChIKeyBYLXEZKAXGMYOU-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.06
Rot. Bonds1

About 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one

8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one (PubChem CID 134331302) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one
PubChem CID134331302
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one
SMILESO=c1[nH]c2cc(C(O)O)ccc2c2ccncc12
InChIInChI=1S/C13H10N2O3/c16-12-10-6-14-4-3-8(10)9-2-1-7(13(17)18)5-11(9)15-12/h1-6,13,17-18H,(H,15,16)
InChIKeyBYLXEZKAXGMYOU-UHFFFAOYSA-N
XLogP1.06
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one (CID 134331302) is 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one is O=c1[nH]c2cc(C(O)O)ccc2c2ccncc12.
What is the InChIKey of 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one?
The InChIKey is BYLXEZKAXGMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12-10-6-14-4-3-8(10)9-2-1-7(13(17)18)5-11(9)15-12/h1-6,13,17-18H,(H,15,16).
What are the key properties of 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one?
8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one has a molecular weight of 242.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dihydroxymethyl)-6H-benzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 134331302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).