N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C24H25N3O2S — CID 10070718

IUPACN-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)nc2C)c2ccccc21
InChIInChI=1S/C24H25N3O2S/c1-15-14-22(27(18(4)28)19-10-6-5-7-11-19)20-12-8-9-13-21(20)26(15)24(29)23-16(2)25-17(3)30-23/h5-13,15,22H,14H2,1-4H3
InChIKeyDYTRXXMKEHHUIC-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.29
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 10070718) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID10070718
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)nc2C)c2ccccc21
InChIInChI=1S/C24H25N3O2S/c1-15-14-22(27(18(4)28)19-10-6-5-7-11-19)20-12-8-9-13-21(20)26(15)24(29)23-16(2)25-17(3)30-23/h5-13,15,22H,14H2,1-4H3
InChIKeyDYTRXXMKEHHUIC-UHFFFAOYSA-N
XLogP5.29
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide with MolForge

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Related Compounds

N-[1-(3,5-dimethylthiophene-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859966
N-[2-methyl-1-(6-methylpyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10092342
N-[2-methyl-1-(2,4,5-trifluoro-6-methylpyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69443397
5-[(2S,4R)-4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-N,N-dimethylthiophene-2-carboxamide
CID 69428031
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
N-[2-methyl-1-(quinoline-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10003104
N-[(2R,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093009
N-[(4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69464580
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961
N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 69427096
N-[(2R,4S)-2-methyl-1-(1-oxidopyridin-1-ium-4-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21100551

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 10070718) is N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2sc(C)nc2C)c2ccccc21.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is DYTRXXMKEHHUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-15-14-22(27(18(4)28)19-10-6-5-7-11-19)20-12-8-9-13-21(20)26(15)24(29)23-16(2)25-17(3)30-23/h5-13,15,22H,14H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 419.55 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 10070718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).