6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

C22H20N2O3S — CID 10023428

IUPAC6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(/C=C/c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-26-19-8-3-14(11-20(19)27-2)4-10-22-24-18(13-28-22)16-5-7-17-15(12-16)6-9-21(25)23-17/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,23,25)/b10-4+
InChIKeyPBDBZAFPASIPRG-ONNFQVAWSA-N
MW392.48 g/mol
LogP4.88
Rot. Bonds5

About 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10023428) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10023428
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(/C=C/c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C22H20N2O3S/c1-26-19-8-3-14(11-20(19)27-2)4-10-22-24-18(13-28-22)16-5-7-17-15(12-16)6-9-21(25)23-17/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,23,25)/b10-4+
InChIKeyPBDBZAFPASIPRG-ONNFQVAWSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 10023428) is 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(/C=C/c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC.
What is the InChIKey of 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PBDBZAFPASIPRG-ONNFQVAWSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-26-19-8-3-14(11-20(19)27-2)4-10-22-24-18(13-28-22)16-5-7-17-15(12-16)6-9-21(25)23-17/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,23,25)/b10-4+.
What are the key properties of 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 392.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10023428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).