4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline

C19H17N — CID 58870156

IUPAC4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
SMILESCc1cccc(C)c1/C=C\c1ccnc2ccccc12
InChIInChI=1S/C19H17N/c1-14-6-5-7-15(2)17(14)11-10-16-12-13-20-19-9-4-3-8-18(16)19/h3-13H,1-2H3/b11-10-
InChIKeyCDZOGGXENXPDBM-KHPPLWFESA-N
MW259.35 g/mol
LogP5.02
Rot. Bonds2

About 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline

4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline (PubChem CID 58870156) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
PubChem CID58870156
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline
SMILESCc1cccc(C)c1/C=C\c1ccnc2ccccc12
InChIInChI=1S/C19H17N/c1-14-6-5-7-15(2)17(14)11-10-16-12-13-20-19-9-4-3-8-18(16)19/h3-13H,1-2H3/b11-10-
InChIKeyCDZOGGXENXPDBM-KHPPLWFESA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline?
The IUPAC name of 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline (CID 58870156) is 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline is Cc1cccc(C)c1/C=C\c1ccnc2ccccc12.
What is the InChIKey of 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline?
The InChIKey is CDZOGGXENXPDBM-KHPPLWFESA-N. The full InChI is InChI=1S/C19H17N/c1-14-6-5-7-15(2)17(14)11-10-16-12-13-20-19-9-4-3-8-18(16)19/h3-13H,1-2H3/b11-10-.
What are the key properties of 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline?
4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline has a molecular weight of 259.35 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(2,6-dimethylphenyl)ethenyl]quinoline is sourced from PubChem (CID 58870156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).