8-methyl-1H-benzo[b][1,8]naphthyridin-2-one

C13H10N2O — CID 15355237

IUPAC8-methyl-1H-benzo[b][1,8]naphthyridin-2-one
SMILESCc1ccc2cc3ccc(=O)[nH]c3nc2c1
InChIInChI=1S/C13H10N2O/c1-8-2-3-9-7-10-4-5-12(16)15-13(10)14-11(9)6-8/h2-7H,1H3,(H,14,15,16)
InChIKeyTUJTYAZBPYFVAI-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.38
Rot. Bonds

About 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one

8-methyl-1H-benzo[b][1,8]naphthyridin-2-one (PubChem CID 15355237) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name8-methyl-1H-benzo[b][1,8]naphthyridin-2-one
PubChem CID15355237
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name8-methyl-1H-benzo[b][1,8]naphthyridin-2-one
SMILESCc1ccc2cc3ccc(=O)[nH]c3nc2c1
InChIInChI=1S/C13H10N2O/c1-8-2-3-9-7-10-4-5-12(16)15-13(10)14-11(9)6-8/h2-7H,1H3,(H,14,15,16)
InChIKeyTUJTYAZBPYFVAI-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one?
The IUPAC name of 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one (CID 15355237) is 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one.
What is the SMILES notation for 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one?
The canonical SMILES for 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one is Cc1ccc2cc3ccc(=O)[nH]c3nc2c1.
What is the InChIKey of 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one?
The InChIKey is TUJTYAZBPYFVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-2-3-9-7-10-4-5-12(16)15-13(10)14-11(9)6-8/h2-7H,1H3,(H,14,15,16).
What are the key properties of 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one?
8-methyl-1H-benzo[b][1,8]naphthyridin-2-one has a molecular weight of 210.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1H-benzo[b][1,8]naphthyridin-2-one is sourced from PubChem (CID 15355237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).