6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide

C20H26N2O2S — CID 70732226

IUPAC6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NC(CO)C3CCSCC3)c2c1
InChIInChI=1S/C20H26N2O2S/c1-3-14-4-5-18-16(11-14)17(10-13(2)21-18)20(24)22-19(12-23)15-6-8-25-9-7-15/h4-5,10-11,15,19,23H,3,6-9,12H2,1-2H3,(H,22,24)
InChIKeyYYEVRDFFACMGEF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.34
Rot. Bonds5

About 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide

6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide (PubChem CID 70732226) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide
PubChem CID70732226
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NC(CO)C3CCSCC3)c2c1
InChIInChI=1S/C20H26N2O2S/c1-3-14-4-5-18-16(11-14)17(10-13(2)21-18)20(24)22-19(12-23)15-6-8-25-9-7-15/h4-5,10-11,15,19,23H,3,6-9,12H2,1-2H3,(H,22,24)
InChIKeyYYEVRDFFACMGEF-UHFFFAOYSA-N
XLogP3.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
CID 70726114
6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
CID 70768616
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119617086
N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
CID 70707240
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
6-ethyl-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-2-methylquinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154891873
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide (CID 70732226) is 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide is CCc1ccc2nc(C)cc(C(=O)NC(CO)C3CCSCC3)c2c1.
What is the InChIKey of 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is YYEVRDFFACMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-14-4-5-18-16(11-14)17(10-13(2)21-18)20(24)22-19(12-23)15-6-8-25-9-7-15/h4-5,10-11,15,19,23H,3,6-9,12H2,1-2H3,(H,22,24).
What are the key properties of 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide?
6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 70732226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).