ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate

C20H19FN2O3 — CID 14850556

IUPACethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc2[nH]c(=O)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c1-4-26-20(25)17-16(12-5-7-13(21)8-6-12)14-9-10-15(24)22-19(14)23-18(17)11(2)3/h5-11H,4H2,1-3H3,(H,22,23,24)
InChIKeyFWTWELOPLUFDAU-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.03
Rot. Bonds4

About ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate (PubChem CID 14850556) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate
PubChem CID14850556
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Nameethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc2[nH]c(=O)ccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c1-4-26-20(25)17-16(12-5-7-13(21)8-6-12)14-9-10-15(24)22-19(14)23-18(17)11(2)3/h5-11H,4H2,1-3H3,(H,22,23,24)
InChIKeyFWTWELOPLUFDAU-UHFFFAOYSA-N
XLogP4.03
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate (CID 14850556) is ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(C(C)C)nc2[nH]c(=O)ccc2c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate?
The InChIKey is FWTWELOPLUFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-4-26-20(25)17-16(12-5-7-13(21)8-6-12)14-9-10-15(24)22-19(14)23-18(17)11(2)3/h5-11H,4H2,1-3H3,(H,22,23,24).
What are the key properties of ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate has a molecular weight of 354.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 14850556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).