ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

C24H25FN2O3 — CID 24738670

IUPACethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cc3cccnc3c(-c3cc(F)ccc3OC)n2)CC1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(28)16-8-6-15(7-9-16)20-13-17-5-4-12-26-22(17)23(27-20)19-14-18(25)10-11-21(19)29-2/h4-5,10-16H,3,6-9H2,1-2H3
InChIKeyGEBSAZQUXWFKCV-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.28
Rot. Bonds5

About ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate (PubChem CID 24738670) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
PubChem CID24738670
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Nameethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cc3cccnc3c(-c3cc(F)ccc3OC)n2)CC1
InChIInChI=1S/C24H25FN2O3/c1-3-30-24(28)16-8-6-15(7-9-16)20-13-17-5-4-12-26-22(17)23(27-20)19-14-18(25)10-11-21(19)29-2/h4-5,10-16H,3,6-9H2,1-2H3
InChIKeyGEBSAZQUXWFKCV-UHFFFAOYSA-N
XLogP5.28
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate (CID 24738670) is ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2cc3cccnc3c(-c3cc(F)ccc3OC)n2)CC1.
What is the InChIKey of ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The InChIKey is GEBSAZQUXWFKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-3-30-24(28)16-8-6-15(7-9-16)20-13-17-5-4-12-26-22(17)23(27-20)19-14-18(25)10-11-21(19)29-2/h4-5,10-16H,3,6-9H2,1-2H3.
What are the key properties of ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate has a molecular weight of 408.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 24738670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).