[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol

C18H22N2O2 — CID 68567552

IUPAC[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol
SMILESCOc1ccc2nccc(/C=C/C3CCC(CO)CC3)c2n1
InChIInChI=1S/C18H22N2O2/c1-22-17-9-8-16-18(20-17)15(10-11-19-16)7-6-13-2-4-14(12-21)5-3-13/h6-11,13-14,21H,2-5,12H2,1H3/b7-6+
InChIKeyZXQSIQKQVDNCPG-VOTSOKGWSA-N
MW298.39 g/mol
LogP3.45
Rot. Bonds4

About [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol

[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol (PubChem CID 68567552) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol
PubChem CID68567552
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol
SMILESCOc1ccc2nccc(/C=C/C3CCC(CO)CC3)c2n1
InChIInChI=1S/C18H22N2O2/c1-22-17-9-8-16-18(20-17)15(10-11-19-16)7-6-13-2-4-14(12-21)5-3-13/h6-11,13-14,21H,2-5,12H2,1H3/b7-6+
InChIKeyZXQSIQKQVDNCPG-VOTSOKGWSA-N
XLogP3.45
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol?
The IUPAC name of [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol (CID 68567552) is [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol is COc1ccc2nccc(/C=C/C3CCC(CO)CC3)c2n1.
What is the InChIKey of [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol?
The InChIKey is ZXQSIQKQVDNCPG-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-9-8-16-18(20-17)15(10-11-19-16)7-6-13-2-4-14(12-21)5-3-13/h6-11,13-14,21H,2-5,12H2,1H3/b7-6+.
What are the key properties of [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol?
[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol has a molecular weight of 298.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol is sourced from PubChem (CID 68567552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).