7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C17H15FN2O3 — CID 112532717

IUPAC7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)7-16(21)20-6-5-14-12(10-20)8-19-9-15(14)17(22)23/h1-4,8-9H,5-7,10H2,(H,22,23)
InChIKeyDMYAZOFGMWPUEJ-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.05
Rot. Bonds3

About 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 112532717) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID112532717
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESO=C(O)c1cncc2c1CCN(C(=O)Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)7-16(21)20-6-5-14-12(10-20)8-19-9-15(14)17(22)23/h1-4,8-9H,5-7,10H2,(H,22,23)
InChIKeyDMYAZOFGMWPUEJ-UHFFFAOYSA-N
XLogP2.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
methyl 7-[2-(4-methylphenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535197
7-(2-pyridin-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532701
7-(2-methylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476748
5-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112528408
7-(4-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476737
7-(2,5-dimethylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532735
7-(3-chlorobenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476741
2-[2-(1-methylpyrazol-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 136556446
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46046668
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 112532717) is 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is O=C(O)c1cncc2c1CCN(C(=O)Cc1ccc(F)cc1)C2.
What is the InChIKey of 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is DMYAZOFGMWPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-3-1-11(2-4-13)7-16(21)20-6-5-14-12(10-20)8-19-9-15(14)17(22)23/h1-4,8-9H,5-7,10H2,(H,22,23).
What are the key properties of 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 112532717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).