[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone

C23H17NOS — CID 162395795

IUPAC[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone
SMILESCc1nc2ccccc2c(/C=C/c2cccs2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NOS/c1-16-22(23(25)17-8-3-2-4-9-17)20(14-13-18-10-7-15-26-18)19-11-5-6-12-21(19)24-16/h2-15H,1H3/b14-13+
InChIKeyOZDYZCGGMQBXCV-BUHFOSPRSA-N
MW355.46 g/mol
LogP6.01
Rot. Bonds4

About [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone

[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone (PubChem CID 162395795) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone
PubChem CID162395795
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone
SMILESCc1nc2ccccc2c(/C=C/c2cccs2)c1C(=O)c1ccccc1
InChIInChI=1S/C23H17NOS/c1-16-22(23(25)17-8-3-2-4-9-17)20(14-13-18-10-7-15-26-18)19-11-5-6-12-21(19)24-16/h2-15H,1H3/b14-13+
InChIKeyOZDYZCGGMQBXCV-BUHFOSPRSA-N
XLogP6.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone?
The IUPAC name of [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone (CID 162395795) is [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone?
The canonical SMILES for [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone is Cc1nc2ccccc2c(/C=C/c2cccs2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone?
The InChIKey is OZDYZCGGMQBXCV-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H17NOS/c1-16-22(23(25)17-8-3-2-4-9-17)20(14-13-18-10-7-15-26-18)19-11-5-6-12-21(19)24-16/h2-15H,1H3/b14-13+.
What are the key properties of [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone?
[2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone has a molecular weight of 355.46 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(E)-2-thiophen-2-ylethenyl]quinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 162395795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).