3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

C20H17NO2 — CID 171935667

IUPAC3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H17NO2/c1-14-7-9-15(10-8-14)19(22)12-11-17-13-16-5-3-4-6-18(16)21-20(17)23-2/h3-13H,1-2H3
InChIKeyNPRHZCNWYIDXMX-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.45
Rot. Bonds4

About 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 171935667) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID171935667
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCOc1nc2ccccc2cc1C=CC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H17NO2/c1-14-7-9-15(10-8-14)19(22)12-11-17-13-16-5-3-4-6-18(16)21-20(17)23-2/h3-13H,1-2H3
InChIKeyNPRHZCNWYIDXMX-UHFFFAOYSA-N
XLogP4.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.45
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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Related Compounds

1-(4-fluorophenyl)-3-(2-methoxyquinolin-3-yl)prop-2-en-1-one
CID 91941705
3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
CID 91941475
(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
2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 11738716
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
(E)-3-(2,6-dimethoxyquinolin-3-yl)prop-2-enamide
CID 170878117
(E)-3-(2-hydroxy-3-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 44791583
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one (CID 171935667) is 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one is COc1nc2ccccc2cc1C=CC(=O)c1ccc(C)cc1.
What is the InChIKey of 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is NPRHZCNWYIDXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14-7-9-15(10-8-14)19(22)12-11-17-13-16-5-3-4-6-18(16)21-20(17)23-2/h3-13H,1-2H3.
What are the key properties of 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one?
3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyquinolin-3-yl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 171935667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).