N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane

C28H30ClN5O2S — CID 145189573

IUPACN-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane
SMILESCC.CCSc1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2ncc(Cl)n4ccnc24)C3=O)cc1
InChIInChI=1S/C26H24ClN5O2S.C2H6/c1-3-35-17-6-4-16(5-7-17)14-22(33)31-21-9-8-18-19(30-21)10-11-26(2,24(18)34)23-25-28-12-13-32(25)20(27)15-29-23;1-2/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,30,31,33);1-2H3
InChIKeyXSPOGGQHPKOQPZ-UHFFFAOYSA-N
MW536.10 g/mol
LogP6.18
Rot. Bonds6

About N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane

N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane (PubChem CID 145189573) has the molecular formula C28H30ClN5O2S and a molecular weight of 536.10 g/mol. Its IUPAC name is N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane
PubChem CID145189573
Molecular FormulaC28H30ClN5O2S
Molecular Weight536.10 g/mol
Exact Mass535.18
IUPAC NameN-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane
SMILESCC.CCSc1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2ncc(Cl)n4ccnc24)C3=O)cc1
InChIInChI=1S/C26H24ClN5O2S.C2H6/c1-3-35-17-6-4-16(5-7-17)14-22(33)31-21-9-8-18-19(30-21)10-11-26(2,24(18)34)23-25-28-12-13-32(25)20(27)15-29-23;1-2/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,30,31,33);1-2H3
InChIKeyXSPOGGQHPKOQPZ-UHFFFAOYSA-N
XLogP6.18
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.10
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[6-(3-fluoro-2-methylimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]acetamide
CID 122704114
2-(4-ethylsulfanylphenyl)-N-(5-oxo-6,6-diphenyl-7,8-dihydroquinolin-2-yl)acetamide
CID 144855668
6-(2,6-dimethylpyrimidin-4-yl)-6-methyl-5-oxo-7,8-dihydroquinoline-2-carbaldehyde;N-[6-(2,6-dimethylpyrimidin-4-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 170605275
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 118145052
2-(4-ethylsulfonylphenyl)-N-(6-methyl-5-oxo-6-pyrazol-1-yl-7,8-dihydroquinolin-2-yl)acetamide
CID 122704123
N-[6-(4-chlorophenyl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-[4-(2-methoxyethylsulfinyl)phenyl]acetamide;ethane
CID 144855664
ethane;2-(4-ethylsulfanylphenyl)-N-[4-[1-[(6-methyl-3-pyridinyl)sulfanyl]cyclopropyl]phenyl]acetamide
CID 145232252
N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 134180127
N-[6-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122704060
N-[1-[1-(3-chlorophenyl)ethyl]-3,3-dimethyl-2-oxoindol-5-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 145232176
ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-6-methylthieno[2,3-d][1,3]thiazole-5-carboxylate
CID 41139458
2-(4-ethylsulfanylphenyl)-N'-methylacetohydrazide
CID 116846235

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane?
The IUPAC name of N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane (CID 145189573) is N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane.
What is the SMILES notation for N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane?
The canonical SMILES for N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane is CC.CCSc1ccc(CC(=O)Nc2ccc3c(n2)CCC(C)(c2ncc(Cl)n4ccnc24)C3=O)cc1.
What is the InChIKey of N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane?
The InChIKey is XSPOGGQHPKOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2S.C2H6/c1-3-35-17-6-4-16(5-7-17)14-22(33)31-21-9-8-18-19(30-21)10-11-26(2,24(18)34)23-25-28-12-13-32(25)20(27)15-29-23;1-2/h4-9,12-13,15H,3,10-11,14H2,1-2H3,(H,30,31,33);1-2H3.
What are the key properties of N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane?
N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane has a molecular weight of 536.10 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloroimidazo[1,2-a]pyrazin-8-yl)-6-methyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfanylphenyl)acetamide;ethane is sourced from PubChem (CID 145189573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).