benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate

C23H17FN2O3 — CID 10385595

IUPACbenzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate
SMILESCn1c(C(=O)OCc2ccccc2)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C23H17FN2O3/c1-26-21(23(28)29-14-15-6-3-2-4-7-15)19(16-9-11-17(24)12-10-16)18-8-5-13-25-20(18)22(26)27/h2-13H,14H2,1H3
InChIKeyKJSQXLSJIIYZRS-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.10
Rot. Bonds4

About benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate

benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate (PubChem CID 10385595) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namebenzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate
PubChem CID10385595
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Namebenzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate
SMILESCn1c(C(=O)OCc2ccccc2)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C23H17FN2O3/c1-26-21(23(28)29-14-15-6-3-2-4-7-15)19(16-9-11-17(24)12-10-16)18-8-5-13-25-20(18)22(26)27/h2-13H,14H2,1H3
InChIKeyKJSQXLSJIIYZRS-UHFFFAOYSA-N
XLogP4.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate?
The IUPAC name of benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate (CID 10385595) is benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate is Cn1c(C(=O)OCc2ccccc2)c(-c2ccc(F)cc2)c2cccnc2c1=O.
What is the InChIKey of benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate?
The InChIKey is KJSQXLSJIIYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-26-21(23(28)29-14-15-6-3-2-4-7-15)19(16-9-11-17(24)12-10-16)18-8-5-13-25-20(18)22(26)27/h2-13H,14H2,1H3.
What are the key properties of benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate?
benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 10385595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).