N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

C24H26N4O5S — CID 57400697

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C24H26N4O5S/c1-16-7-9-18(10-8-16)34(32,33)28-14-12-25-24(31)22(28)15-23(30)26-20-11-13-27(17(2)29)21-6-4-3-5-19(20)21/h3-10,12,14,20,22H,11,13,15H2,1-2H3,(H,25,31)(H,26,30)/t20?,22-/m1/s1
InChIKeyKSNACJQOSNJLIF-LWMIZPGFSA-N
MW482.56 g/mol
LogP1.96
Rot. Bonds5

About N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 57400697) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
PubChem CID57400697
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C24H26N4O5S/c1-16-7-9-18(10-8-16)34(32,33)28-14-12-25-24(31)22(28)15-23(30)26-20-11-13-27(17(2)29)21-6-4-3-5-19(20)21/h3-10,12,14,20,22H,11,13,15H2,1-2H3,(H,25,31)(H,26,30)/t20?,22-/m1/s1
InChIKeyKSNACJQOSNJLIF-LWMIZPGFSA-N
XLogP1.96
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 57400697) is N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is CC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The InChIKey is KSNACJQOSNJLIF-LWMIZPGFSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-16-7-9-18(10-8-16)34(32,33)28-14-12-25-24(31)22(28)15-23(30)26-20-11-13-27(17(2)29)21-6-4-3-5-19(20)21/h3-10,12,14,20,22H,11,13,15H2,1-2H3,(H,25,31)(H,26,30)/t20?,22-/m1/s1.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 482.56 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 57400697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).