ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

C24H26N2O3 — CID 69398748

IUPACethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cc3cccnc3c(-c3cccc(OC)c3)n2)CC1
InChIInChI=1S/C24H26N2O3/c1-3-29-24(27)17-11-9-16(10-12-17)21-15-19-7-5-13-25-22(19)23(26-21)18-6-4-8-20(14-18)28-2/h4-8,13-17H,3,9-12H2,1-2H3
InChIKeyDOPIPOGVLVTGFF-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.14
Rot. Bonds5

About ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate (PubChem CID 69398748) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
PubChem CID69398748
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cc3cccnc3c(-c3cccc(OC)c3)n2)CC1
InChIInChI=1S/C24H26N2O3/c1-3-29-24(27)17-11-9-16(10-12-17)21-15-19-7-5-13-25-22(19)23(26-21)18-6-4-8-20(14-18)28-2/h4-8,13-17H,3,9-12H2,1-2H3
InChIKeyDOPIPOGVLVTGFF-UHFFFAOYSA-N
XLogP5.14
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate (CID 69398748) is ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2cc3cccnc3c(-c3cccc(OC)c3)n2)CC1.
What is the InChIKey of ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
The InChIKey is DOPIPOGVLVTGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-29-24(27)17-11-9-16(10-12-17)21-15-19-7-5-13-25-22(19)23(26-21)18-6-4-8-20(14-18)28-2/h4-8,13-17H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate?
ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 69398748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).