2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

C15H14F2N2O2 — CID 61360264

IUPAC2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1
InChIInChI=1S/C15H14F2N2O2/c1-2-19-4-3-11-9(7-19)13(15(20)21)14-10(17)5-8(16)6-12(14)18-11/h5-6H,2-4,7H2,1H3,(H,20,21)
InChIKeyBJYZQPRYMOGRBS-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.59
Rot. Bonds2

About 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 61360264) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID61360264
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCCN1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1
InChIInChI=1S/C15H14F2N2O2/c1-2-19-4-3-11-9(7-19)13(15(20)21)14-10(17)5-8(16)6-12(14)18-11/h5-6H,2-4,7H2,1H3,(H,20,21)
InChIKeyBJYZQPRYMOGRBS-UHFFFAOYSA-N
XLogP2.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 61360264) is 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CCN1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1.
What is the InChIKey of 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is BJYZQPRYMOGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-19-4-3-11-9(7-19)13(15(20)21)14-10(17)5-8(16)6-12(14)18-11/h5-6H,2-4,7H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,9-difluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 61360264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).