6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one

C26H20N2O3S — CID 50915469

IUPAC6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(-c4ccccn4)c3)c2cc1OC
InChIInChI=1S/C26H20N2O3S/c1-30-21-14-18-20(15-22(21)31-2)28-26(29)25(23-10-6-12-32-23)24(18)17-8-5-7-16(13-17)19-9-3-4-11-27-19/h3-15H,1-2H3,(H,28,29)
InChIKeyDHJSIGLFEZHWTN-UHFFFAOYSA-N
MW440.52 g/mol
LogP6.00
Rot. Bonds5

About 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one

6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 50915469) has the molecular formula C26H20N2O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID50915469
Molecular FormulaC26H20N2O3S
Molecular Weight440.52 g/mol
Exact Mass440.12
IUPAC Name6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(-c4ccccn4)c3)c2cc1OC
InChIInChI=1S/C26H20N2O3S/c1-30-21-14-18-20(15-22(21)31-2)28-26(29)25(23-10-6-12-32-23)24(18)17-8-5-7-16(13-17)19-9-3-4-11-27-19/h3-15H,1-2H3,(H,28,29)
InChIKeyDHJSIGLFEZHWTN-UHFFFAOYSA-N
XLogP6.00
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one (CID 50915469) is 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(-c3cccs3)c(-c3cccc(-c4ccccn4)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is DHJSIGLFEZHWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S/c1-30-21-14-18-20(15-22(21)31-2)28-26(29)25(23-10-6-12-32-23)24(18)17-8-5-7-16(13-17)19-9-3-4-11-27-19/h3-15H,1-2H3,(H,28,29).
What are the key properties of 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one?
6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 440.52 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(3-pyridin-2-ylphenyl)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 50915469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).