1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline

C21H23NO3 — CID 5475868

IUPAC1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/C1C=Cc2ccccc2N1C
InChIInChI=1S/C21H23NO3/c1-22-17(11-9-15-7-5-6-8-18(15)22)12-10-16-13-20(24-3)21(25-4)14-19(16)23-2/h5-14,17H,1-4H3/b12-10+
InChIKeyDSAZJLAFITVUDS-ZRDIBKRKSA-N
MW337.42 g/mol
LogP4.26
Rot. Bonds5

About 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline

1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline (PubChem CID 5475868) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline.

Molecular Properties

Compound Name1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline
PubChem CID5475868
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/C1C=Cc2ccccc2N1C
InChIInChI=1S/C21H23NO3/c1-22-17(11-9-15-7-5-6-8-18(15)22)12-10-16-13-20(24-3)21(25-4)14-19(16)23-2/h5-14,17H,1-4H3/b12-10+
InChIKeyDSAZJLAFITVUDS-ZRDIBKRKSA-N
XLogP4.26
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-[(E)-2-[2-methoxy-4-(methylamino)phenyl]ethenyl]-2H-quinolin-1-yl]-1-phenylethanone
CID 89337182
(3E)-1-methyl-3-[(2,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528411
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
1-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1353274
2-ethenyl-1-ethyl-2H-quinoline
CID 130346368
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-[(1-methyl-2H-quinolin-2-yl)methylidene]-4-[(1,3,3-trimethyl-2H-indol-2-yl)methylidene]cyclobutane-1,3-dione
CID 90956813
(E)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 60599656
1,3,3-trimethyl-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 6365835
1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
CID 3019148
9-[[4-(fluoren-9-ylidenemethyl)-2,5-dimethoxyphenyl]methylidene]fluorene
CID 90396431
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline?
The IUPAC name of 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline (CID 5475868) is 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline.
What is the SMILES notation for 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline?
The canonical SMILES for 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline is COc1cc(OC)c(OC)cc1/C=C/C1C=Cc2ccccc2N1C.
What is the InChIKey of 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline?
The InChIKey is DSAZJLAFITVUDS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H23NO3/c1-22-17(11-9-15-7-5-6-8-18(15)22)12-10-16-13-20(24-3)21(25-4)14-19(16)23-2/h5-14,17H,1-4H3/b12-10+.
What are the key properties of 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline?
1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline has a molecular weight of 337.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-2H-quinoline is sourced from PubChem (CID 5475868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).