7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde

C23H20N2OS — CID 174543248

IUPAC7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde
SMILESCC1(C)Cc2nc(C#Cc3ncc(-c4ccccc4)s3)ccc2C(C=O)C1
InChIInChI=1S/C23H20N2OS/c1-23(2)12-17(15-26)19-10-8-18(25-20(19)13-23)9-11-22-24-14-21(27-22)16-6-4-3-5-7-16/h3-8,10,14-15,17H,12-13H2,1-2H3
InChIKeyPNGOXNDJFKWYSQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.86
Rot. Bonds2

About 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde

7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde (PubChem CID 174543248) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde.

Molecular Properties

Compound Name7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde
PubChem CID174543248
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde
SMILESCC1(C)Cc2nc(C#Cc3ncc(-c4ccccc4)s3)ccc2C(C=O)C1
InChIInChI=1S/C23H20N2OS/c1-23(2)12-17(15-26)19-10-8-18(25-20(19)13-23)9-11-22-24-14-21(27-22)16-6-4-3-5-7-16/h3-8,10,14-15,17H,12-13H2,1-2H3
InChIKeyPNGOXNDJFKWYSQ-UHFFFAOYSA-N
XLogP4.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-[(2S)-2-fluoropropyl]piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148687520
1-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148713471
1-(1-Fluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 149068841
1-[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 157994049
1-(4,4-Difluorocyclohexyl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159203517
1-[1-[(2R)-2-fluoropropyl]piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 159875093
2-[5-(3-fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline-5-carbaldehyde
CID 174509971
2-[5-(3-Fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174509981
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174510000
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydroquinoline-5-carbaldehyde
CID 174510058
2-[5-[3-(aminomethyl)-5-fluorophenyl]-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline-5-carbaldehyde
CID 174510066
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydro-5H-quinoline-5-carbaldehyde
CID 174510102

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The IUPAC name of 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde (CID 174543248) is 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde.
What is the SMILES notation for 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The canonical SMILES for 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde is CC1(C)Cc2nc(C#Cc3ncc(-c4ccccc4)s3)ccc2C(C=O)C1.
What is the InChIKey of 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The InChIKey is PNGOXNDJFKWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-23(2)12-17(15-26)19-10-8-18(25-20(19)13-23)9-11-22-24-14-21(27-22)16-6-4-3-5-7-16/h3-8,10,14-15,17H,12-13H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde?
7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde has a molecular weight of 372.49 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[2-(5-phenyl-1,3-thiazol-2-yl)ethynyl]-6,8-dihydro-5H-quinoline-5-carbaldehyde is sourced from PubChem (CID 174543248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).