2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid

C21H19NO4 — CID 34046386

IUPAC2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
SMILESCOc1cccc(/C=C/c2cc(C(=O)O)c3cc(C)ccc3n2)c1OC
InChIInChI=1S/C21H19NO4/c1-13-7-10-18-16(11-13)17(21(23)24)12-15(22-18)9-8-14-5-4-6-19(25-2)20(14)26-3/h4-12H,1-3H3,(H,23,24)/b9-8+
InChIKeyNZMALSACNKQFRK-CMDGGOBGSA-N
MW349.39 g/mol
LogP4.43
Rot. Bonds5

About 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid

2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid (PubChem CID 34046386) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
PubChem CID34046386
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid
SMILESCOc1cccc(/C=C/c2cc(C(=O)O)c3cc(C)ccc3n2)c1OC
InChIInChI=1S/C21H19NO4/c1-13-7-10-18-16(11-13)17(21(23)24)12-15(22-18)9-8-14-5-4-6-19(25-2)20(14)26-3/h4-12H,1-3H3,(H,23,24)/b9-8+
InChIKeyNZMALSACNKQFRK-CMDGGOBGSA-N
XLogP4.43
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid
CID 91943397
6-bromo-2-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16777739
6-bromo-2-[(E)-2-(2-methylphenyl)ethenyl]quinoline-4-carboxylic acid
CID 16772352
2-[(E)-2-(7-methoxy-1-benzofuran-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 6211924
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
methyl 2-acetamido-5-[6-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-2-methylpyrimidin-4-yl]benzoate
CID 137333641
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
(3-methylphenyl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8873171

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid (CID 34046386) is 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid is COc1cccc(/C=C/c2cc(C(=O)O)c3cc(C)ccc3n2)c1OC.
What is the InChIKey of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is NZMALSACNKQFRK-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H19NO4/c1-13-7-10-18-16(11-13)17(21(23)24)12-15(22-18)9-8-14-5-4-6-19(25-2)20(14)26-3/h4-12H,1-3H3,(H,23,24)/b9-8+.
What are the key properties of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid?
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 34046386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).