N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide

C17H19N3O2S — CID 138994378

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCc2cscn2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-12(21)20-9-8-15(14-4-2-3-5-16(14)20)19-17(22)7-6-13-10-23-11-18-13/h2-5,10-11,15H,6-9H2,1H3,(H,19,22)
InChIKeyAIEOHMACBZOXER-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.69
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 138994378) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID138994378
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCC(=O)N1CCC(NC(=O)CCc2cscn2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-12(21)20-9-8-15(14-4-2-3-5-16(14)20)19-17(22)7-6-13-10-23-11-18-13/h2-5,10-11,15H,6-9H2,1H3,(H,19,22)
InChIKeyAIEOHMACBZOXER-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide (CID 138994378) is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide is CC(=O)N1CCC(NC(=O)CCc2cscn2)c2ccccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is AIEOHMACBZOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(21)20-9-8-15(14-4-2-3-5-16(14)20)19-17(22)7-6-13-10-23-11-18-13/h2-5,10-11,15H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 138994378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).