N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C26H18N2O3S — CID 5034835

IUPACN-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc12
InChIInChI=1S/C26H18N2O3S/c1-15-12-24(28-22-9-5-4-6-17(15)22)32-14-23(29)27-16-10-11-20-21(13-16)26(31)19-8-3-2-7-18(19)25(20)30/h2-13H,14H2,1H3,(H,27,29)
InChIKeyPYIFEXHZHSBTEC-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.05
Rot. Bonds4

About N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 5034835) has the molecular formula C26H18N2O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID5034835
Molecular FormulaC26H18N2O3S
Molecular Weight438.51 g/mol
Exact Mass438.10
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc12
InChIInChI=1S/C26H18N2O3S/c1-15-12-24(28-22-9-5-4-6-17(15)22)32-14-23(29)27-16-10-11-20-21(13-16)26(31)19-8-3-2-7-18(19)25(20)30/h2-13H,14H2,1H3,(H,27,29)
InChIKeyPYIFEXHZHSBTEC-UHFFFAOYSA-N
XLogP5.05
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 2401714
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
N-(9,10-dioxoanthracen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4264727
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4691292
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 16532042
N-ethyl-3-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzamide
CID 25408330
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 5034835) is N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nc2ccccc12.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is PYIFEXHZHSBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3S/c1-15-12-24(28-22-9-5-4-6-17(15)22)32-14-23(29)27-16-10-11-20-21(13-16)26(31)19-8-3-2-7-18(19)25(20)30/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 438.51 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 5034835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).