3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid

C19H15NO2 — CID 84819262

IUPAC3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
SMILESCc1c(/C=C/c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H15NO2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19(21)22/h2-12H,1H3,(H,21,22)/b12-11+
InChIKeyPJLIOQPUDQLDER-VAWYXSNFSA-N
MW289.33 g/mol
LogP4.41
Rot. Bonds3

About 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid

3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid (PubChem CID 84819262) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
PubChem CID84819262
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
SMILESCc1c(/C=C/c2ccccc2)nc2ccccc2c1C(=O)O
InChIInChI=1S/C19H15NO2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19(21)22/h2-12H,1H3,(H,21,22)/b12-11+
InChIKeyPJLIOQPUDQLDER-VAWYXSNFSA-N
XLogP4.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-3-methylquinoline-4-carboxylic acid
CID 75401985
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid
CID 167803005
2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
CID 152754992
1,2,3-trimethylacridine-9-carboxylic acid
CID 88617355
2-phenyl-4-(2-phenylethenyl)quinazoline
CID 54158747
4-methyl-3-phenyl-1-[(E)-2-phenylethenyl]isoquinoline
CID 62707087
acetic acid;stilbene
CID 172803728
2,3,4-trimethylnaphthalene-1-carboxylic acid
CID 14435026
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
2,3-dimethylquinoline-4-carbonyl chloride
CID 59105963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid (CID 84819262) is 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid is Cc1c(/C=C/c2ccccc2)nc2ccccc2c1C(=O)O.
What is the InChIKey of 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid?
The InChIKey is PJLIOQPUDQLDER-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13-16(12-11-14-7-3-2-4-8-14)20-17-10-6-5-9-15(17)18(13)19(21)22/h2-12H,1H3,(H,21,22)/b12-11+.
What are the key properties of 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid?
3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 84819262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).