N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide

C23H23N3O4S — CID 17251066

IUPACN-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
SMILESCSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C23H23N3O4S/c1-31-17-6-4-5-16(13-17)24-21(27)15-26-20-8-3-2-7-18(20)19(14-22(26)28)23(29)25-9-11-30-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)
InChIKeyWWTCYHJDWJNEOR-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.83
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide

N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide (PubChem CID 17251066) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
PubChem CID17251066
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
SMILESCSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C23H23N3O4S/c1-31-17-6-4-5-16(13-17)24-21(27)15-26-20-8-3-2-7-18(20)19(14-22(26)28)23(29)25-9-11-30-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,24,27)
InChIKeyWWTCYHJDWJNEOR-UHFFFAOYSA-N
XLogP2.83
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide (CID 17251066) is N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide is CSc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The InChIKey is WWTCYHJDWJNEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-31-17-6-4-5-16(13-17)24-21(27)15-26-20-8-3-2-7-18(20)19(14-22(26)28)23(29)25-9-11-30-12-10-25/h2-8,13-14H,9-12,15H2,1H3,(H,24,27).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide?
N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 17251066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).