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

C23H24N2O3S — CID 10409189

IUPAC6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC
InChIInChI=1S/C23H24N2O3S/c1-3-4-11-28-21-13-17(6-9-20(21)27-2)23-25-19(14-29-23)16-5-8-18-15(12-16)7-10-22(26)24-18/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,24,26)
InChIKeyCEAQMBDWWQORDQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.55
Rot. Bonds7

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

6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10409189) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10409189
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC
InChIInChI=1S/C23H24N2O3S/c1-3-4-11-28-21-13-17(6-9-20(21)27-2)23-25-19(14-29-23)16-5-8-18-15(12-16)7-10-22(26)24-18/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,24,26)
InChIKeyCEAQMBDWWQORDQ-UHFFFAOYSA-N
XLogP5.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one (CID 10409189) is 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is CCCCOc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1OC.
What is the InChIKey of 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CEAQMBDWWQORDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-4-11-28-21-13-17(6-9-20(21)27-2)23-25-19(14-29-23)16-5-8-18-15(12-16)7-10-22(26)24-18/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,24,26).
What are the key properties of 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 408.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-butoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10409189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).