3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one

C17H13NO2S — CID 91941475

IUPAC3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccsc1
InChIInChI=1S/C17H13NO2S/c1-20-17-13(6-7-16(19)14-8-9-21-11-14)10-12-4-2-3-5-15(12)18-17/h2-11H,1H3
InChIKeyQCVYSUVLZGAUIL-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.20
Rot. Bonds4

About 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one

3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one (PubChem CID 91941475) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
PubChem CID91941475
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccsc1
InChIInChI=1S/C17H13NO2S/c1-20-17-13(6-7-16(19)14-8-9-21-11-14)10-12-4-2-3-5-15(12)18-17/h2-11H,1H3
InChIKeyQCVYSUVLZGAUIL-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 171935667
1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)prop-2-en-1-one
CID 100818463
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
(Z)-3-(3-hydroxy-4-methoxyphenyl)-1-thiophen-3-ylprop-2-en-1-one
CID 97462584
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 11738716
(E)-1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
CID 172559232
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
1-(4-methoxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 75647170

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one (CID 91941475) is 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one is COc1nc2ccccc2cc1C=CC(=O)c1ccsc1.
What is the InChIKey of 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one?
The InChIKey is QCVYSUVLZGAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-20-17-13(6-7-16(19)14-8-9-21-11-14)10-12-4-2-3-5-15(12)18-17/h2-11H,1H3.
What are the key properties of 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one?
3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one has a molecular weight of 295.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 91941475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).