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

C22H22N2O3S — CID 10453244

IUPAC6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OCC
InChIInChI=1S/C22H22N2O3S/c1-3-26-19-9-6-16(12-20(19)27-4-2)22-24-18(13-28-22)15-5-8-17-14(11-15)7-10-21(25)23-17/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,23,25)
InChIKeyVYEAEXCQFZSENP-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.16
Rot. Bonds6

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

6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10453244) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10453244
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OCC
InChIInChI=1S/C22H22N2O3S/c1-3-26-19-9-6-16(12-20(19)27-4-2)22-24-18(13-28-22)15-5-8-17-14(11-15)7-10-21(25)23-17/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,23,25)
InChIKeyVYEAEXCQFZSENP-UHFFFAOYSA-N
XLogP5.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 10453244) is 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OCC.
What is the InChIKey of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VYEAEXCQFZSENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-26-19-9-6-16(12-20(19)27-4-2)22-24-18(13-28-22)15-5-8-17-14(11-15)7-10-21(25)23-17/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,23,25).
What are the key properties of 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 394.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10453244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).