4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one

C17H18N2O2 — CID 67335399

IUPAC4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one
SMILESCOc1ccc2nccc(C=CC3CCC(=O)CC3)c2n1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-8-15-17(19-16)13(10-11-18-15)5-2-12-3-6-14(20)7-4-12/h2,5,8-12H,3-4,6-7H2,1H3
InChIKeyCBMHGTWJEFCNDH-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.41
Rot. Bonds3

About 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one

4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one (PubChem CID 67335399) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one
PubChem CID67335399
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one
SMILESCOc1ccc2nccc(C=CC3CCC(=O)CC3)c2n1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-8-15-17(19-16)13(10-11-18-15)5-2-12-3-6-14(20)7-4-12/h2,5,8-12H,3-4,6-7H2,1H3
InChIKeyCBMHGTWJEFCNDH-UHFFFAOYSA-N
XLogP3.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one (CID 67335399) is 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one is COc1ccc2nccc(C=CC3CCC(=O)CC3)c2n1.
What is the InChIKey of 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one?
The InChIKey is CBMHGTWJEFCNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-9-8-15-17(19-16)13(10-11-18-15)5-2-12-3-6-14(20)7-4-12/h2,5,8-12H,3-4,6-7H2,1H3.
What are the key properties of 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one?
4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexan-1-one is sourced from PubChem (CID 67335399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).