2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine

C14H14N2O — CID 154453212

IUPAC2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine
SMILESCCC1=CC=C2Cc3ccccc3N=C2N1O
InChIInChI=1S/C14H14N2O/c1-2-12-8-7-11-9-10-5-3-4-6-13(10)15-14(11)16(12)17/h3-8,17H,2,9H2,1H3
InChIKeyDEYNAOKFJYKGIA-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.20
Rot. Bonds1

About 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine

2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine (PubChem CID 154453212) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine
PubChem CID154453212
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine
SMILESCCC1=CC=C2Cc3ccccc3N=C2N1O
InChIInChI=1S/C14H14N2O/c1-2-12-8-7-11-9-10-5-3-4-6-13(10)15-14(11)16(12)17/h3-8,17H,2,9H2,1H3
InChIKeyDEYNAOKFJYKGIA-UHFFFAOYSA-N
XLogP3.20
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine?
The IUPAC name of 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine (CID 154453212) is 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine.
What is the SMILES notation for 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine?
The canonical SMILES for 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine is CCC1=CC=C2Cc3ccccc3N=C2N1O.
What is the InChIKey of 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine?
The InChIKey is DEYNAOKFJYKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-12-8-7-11-9-10-5-3-4-6-13(10)15-14(11)16(12)17/h3-8,17H,2,9H2,1H3.
What are the key properties of 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine?
2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine has a molecular weight of 226.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hydroxy-5H-benzo[b][1,8]naphthyridine is sourced from PubChem (CID 154453212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).