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

C14H12N2O — CID 59093558

IUPAC3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
SMILESCCc1cc2cc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C14H12N2O/c1-2-9-7-11-8-10-5-3-4-6-12(10)15-13(11)16-14(9)17/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyUKMYUEZRCDWIMC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.64
Rot. Bonds1

About 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one

3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one (PubChem CID 59093558) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
PubChem CID59093558
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
SMILESCCc1cc2cc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C14H12N2O/c1-2-9-7-11-8-10-5-3-4-6-12(10)15-13(11)16-14(9)17/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyUKMYUEZRCDWIMC-UHFFFAOYSA-N
XLogP2.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.64
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 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one?
The IUPAC name of 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one (CID 59093558) is 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one?
The canonical SMILES for 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one is CCc1cc2cc3ccccc3nc2[nH]c1=O.
What is the InChIKey of 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one?
The InChIKey is UKMYUEZRCDWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-9-7-11-8-10-5-3-4-6-12(10)15-13(11)16-14(9)17/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one?
3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one is sourced from PubChem (CID 59093558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).