N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide

C24H28N4O2S — CID 3141458

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)c3cc(C)ccc3n2)c(O)c1
InChIInChI=1S/C24H28N4O2S/c1-5-28(6-2)19-9-8-18(22(29)13-19)14-25-27-23(30)15-31-24-12-17(4)20-11-16(3)7-10-21(20)26-24/h7-14,29H,5-6,15H2,1-4H3,(H,27,30)
InChIKeyVWSSICOTMFUPID-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.65
Rot. Bonds8

About N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 3141458) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID3141458
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)c3cc(C)ccc3n2)c(O)c1
InChIInChI=1S/C24H28N4O2S/c1-5-28(6-2)19-9-8-18(22(29)13-19)14-25-27-23(30)15-31-24-12-17(4)20-11-16(3)7-10-21(20)26-24/h7-14,29H,5-6,15H2,1-4H3,(H,27,30)
InChIKeyVWSSICOTMFUPID-UHFFFAOYSA-N
XLogP4.65
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 1130711
4-[(Z)-[[2-(4,6-dimethylquinolin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 7452917
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 5445937
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130781
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135528388
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136886939
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2067835
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide (CID 3141458) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide is CCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)c3cc(C)ccc3n2)c(O)c1.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is VWSSICOTMFUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-5-28(6-2)19-9-8-18(22(29)13-19)14-25-27-23(30)15-31-24-12-17(4)20-11-16(3)7-10-21(20)26-24/h7-14,29H,5-6,15H2,1-4H3,(H,27,30).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 436.58 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3141458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).