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

C21H20N2O3S — CID 9343481

IUPAC6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C21H20N2O3S/c1-3-26-18-8-5-15(11-19(18)25-2)21-23-17(12-27-21)14-4-7-16-13(10-14)6-9-20(24)22-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,22,24)
InChIKeyCBNGQZRKOBMJRY-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.77
Rot. Bonds5

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

6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9343481) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID9343481
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC
InChIInChI=1S/C21H20N2O3S/c1-3-26-18-8-5-15(11-19(18)25-2)21-23-17(12-27-21)14-4-7-16-13(10-14)6-9-20(24)22-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,22,24)
InChIKeyCBNGQZRKOBMJRY-UHFFFAOYSA-N
XLogP4.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 9343481) is 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OC.
What is the InChIKey of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CBNGQZRKOBMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-3-26-18-8-5-15(11-19(18)25-2)21-23-17(12-27-21)14-4-7-16-13(10-14)6-9-20(24)22-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3,(H,22,24).
What are the key properties of 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9343481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).