(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one

C24H19NOS — CID 139085271

IUPAC(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccsc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NOS/c1-16-14-15-27-22(16)13-12-21(26)23-17(2)25-20-11-7-6-10-19(20)24(23)18-8-4-3-5-9-18/h3-15H,1-2H3/b13-12+
InChIKeyGOZDCFVPTKTYJE-OUKQBFOZSA-N
MW369.49 g/mol
LogP6.48
Rot. Bonds4

About (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one

(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one (PubChem CID 139085271) has the molecular formula C24H19NOS and a molecular weight of 369.49 g/mol. Its IUPAC name is (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
PubChem CID139085271
Molecular FormulaC24H19NOS
Molecular Weight369.49 g/mol
Exact Mass369.12
IUPAC Name(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
SMILESCc1ccsc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19NOS/c1-16-14-15-27-22(16)13-12-21(26)23-17(2)25-20-11-7-6-10-19(20)24(23)18-8-4-3-5-9-18/h3-15H,1-2H3/b13-12+
InChIKeyGOZDCFVPTKTYJE-OUKQBFOZSA-N
XLogP6.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one (CID 139085271) is (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one is Cc1ccsc1/C=C/C(=O)c1c(C)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
The InChIKey is GOZDCFVPTKTYJE-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H19NOS/c1-16-14-15-27-22(16)13-12-21(26)23-17(2)25-20-11-7-6-10-19(20)24(23)18-8-4-3-5-9-18/h3-15H,1-2H3/b13-12+.
What are the key properties of (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one?
(E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one has a molecular weight of 369.49 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 139085271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).