7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde

C20H19N3OS — CID 174510048

IUPAC7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde
SMILESCC1(C)Cc2nc(-c3ncc(-c4cccnc4)s3)ccc2C(C=O)C1
InChIInChI=1S/C20H19N3OS/c1-20(2)8-14(12-24)15-5-6-16(23-17(15)9-20)19-22-11-18(25-19)13-4-3-7-21-10-13/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyASMYWTUOLJMCLD-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.52
Rot. Bonds3

About 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde

7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde (PubChem CID 174510048) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde.

Molecular Properties

Compound Name7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde
PubChem CID174510048
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde
SMILESCC1(C)Cc2nc(-c3ncc(-c4cccnc4)s3)ccc2C(C=O)C1
InChIInChI=1S/C20H19N3OS/c1-20(2)8-14(12-24)15-5-6-16(23-17(15)9-20)19-22-11-18(25-19)13-4-3-7-21-10-13/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyASMYWTUOLJMCLD-UHFFFAOYSA-N
XLogP4.52
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

2-[5-(3-Fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166285
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166286
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11316345
2-[5-(3-Fluoro-5-methylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11394476
2-[5-(3-Fluorophenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11416866
7,7-Dimethyl-2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6,8-dihydroquinolin-5-one
CID 11612676
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11711646
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11718918
1-(1-Ethyl-4-fluoropiperidin-4-yl)-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 147316978
1-(4-Fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
CID 147732024
1-[1-(2,2-Difluoropropyl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148120382
1-[1-[(2S)-2-fluoropropyl]piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 148687520

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The IUPAC name of 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde (CID 174510048) is 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde.
What is the SMILES notation for 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The canonical SMILES for 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde is CC1(C)Cc2nc(-c3ncc(-c4cccnc4)s3)ccc2C(C=O)C1.
What is the InChIKey of 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde?
The InChIKey is ASMYWTUOLJMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-20(2)8-14(12-24)15-5-6-16(23-17(15)9-20)19-22-11-18(25-19)13-4-3-7-21-10-13/h3-7,10-12,14H,8-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde?
7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde has a molecular weight of 349.46 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(5-pyridin-3-yl-1,3-thiazol-2-yl)-6,8-dihydro-5H-quinoline-5-carbaldehyde is sourced from PubChem (CID 174510048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).