8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide

C18H23N3O3S — CID 143497969

IUPAC8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide
SMILESC/C=C(\C)CNC(=O)c1c(C)c(N(C)S(C)=O)c2cccnc2c1O
InChIInChI=1S/C18H23N3O3S/c1-6-11(2)10-20-18(23)14-12(3)16(21(4)25(5)24)13-8-7-9-19-15(13)17(14)22/h6-9,22H,10H2,1-5H3,(H,20,23)/b11-6+
InChIKeyRBPSSCISXWXQSJ-IZZDOVSWSA-N
MW361.47 g/mol
LogP2.67
Rot. Bonds5

About 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide

8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide (PubChem CID 143497969) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide
PubChem CID143497969
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide
SMILESC/C=C(\C)CNC(=O)c1c(C)c(N(C)S(C)=O)c2cccnc2c1O
InChIInChI=1S/C18H23N3O3S/c1-6-11(2)10-20-18(23)14-12(3)16(21(4)25(5)24)13-8-7-9-19-15(13)17(14)22/h6-9,22H,10H2,1-5H3,(H,20,23)/b11-6+
InChIKeyRBPSSCISXWXQSJ-IZZDOVSWSA-N
XLogP2.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[butan-2-yl(methyl)amino]-N-[(4Z)-6-(fluoromethyl)-3-methylidenehepta-4,6-dienyl]-8-hydroxy-6-methylquinoline-7-carboxamide
CID 143497971
5-[[(E)-ethylidene(methyl)-λ4-sulfanyl]-methylamino]-7-[(4-fluorophenyl)methyl]-9-hydroxy-7-methyl-6H-cyclopenta[g]quinolin-8-one
CID 147178330
8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
CID 143584291
6-methylquinoline-5,7,8-triol
CID 137159814
ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine
CID 143334312
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
CID 45481699
6-ethenyl-N-[2-(4-fluorophenyl)ethyl]-8-hydroxy-5-methoxyquinoline-7-carboxamide
CID 143149286
5,7-diamino-6-methylquinolin-8-ol
CID 23063822
N-[2-[(7,8-dimethylquinolin-5-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 75524289
5-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 22346292
5,7-dimethylquinolin-8-ol
CID 118341298
7-fluoro-5-methylquinolin-8-ol
CID 59613713

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide (CID 143497969) is 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide is C/C=C(\C)CNC(=O)c1c(C)c(N(C)S(C)=O)c2cccnc2c1O.
What is the InChIKey of 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide?
The InChIKey is RBPSSCISXWXQSJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-6-11(2)10-20-18(23)14-12(3)16(21(4)25(5)24)13-8-7-9-19-15(13)17(14)22/h6-9,22H,10H2,1-5H3,(H,20,23)/b11-6+.
What are the key properties of 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide?
8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide is sourced from PubChem (CID 143497969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).