2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

C22H26N4O4S — CID 135234622

IUPAC2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(O)N4CCOC)cs2)o1
InChIInChI=1S/C22H26N4O4S/c1-4-18-23-13(2)20(30-18)21(28)25-22-24-16(12-31-22)14-5-7-17-15(11-14)6-8-19(27)26(17)9-10-29-3/h5,7,11-12,19,27H,4,6,8-10H2,1-3H3,(H,24,25,28)
InChIKeyWBGZDKBAIQWDNH-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.64
Rot. Bonds7

About 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 135234622) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID135234622
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(O)N4CCOC)cs2)o1
InChIInChI=1S/C22H26N4O4S/c1-4-18-23-13(2)20(30-18)21(28)25-22-24-16(12-31-22)14-5-7-17-15(11-14)6-8-19(27)26(17)9-10-29-3/h5,7,11-12,19,27H,4,6,8-10H2,1-3H3,(H,24,25,28)
InChIKeyWBGZDKBAIQWDNH-UHFFFAOYSA-N
XLogP3.64
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[4-[2-oxo-1-(pyridazin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 135221871
N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 135221781
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
2-cyclohexyl-4-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 135232535
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
4-methyl-N-[4-[(2R)-2-methyl-1-propanoyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 1458875

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 135234622) is 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(O)N4CCOC)cs2)o1.
What is the InChIKey of 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is WBGZDKBAIQWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-4-18-23-13(2)20(30-18)21(28)25-22-24-16(12-31-22)14-5-7-17-15(11-14)6-8-19(27)26(17)9-10-29-3/h5,7,11-12,19,27H,4,6,8-10H2,1-3H3,(H,24,25,28).
What are the key properties of 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[2-hydroxy-1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135234622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).