N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

C24H28N4O3S — CID 1130781

IUPACN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(OC)cccc23)c(O)c1
InChIInChI=1S/C24H28N4O3S/c1-5-28(6-2)18-11-10-17(20(29)13-18)14-25-27-23(30)15-32-22-12-16(3)26-24-19(22)8-7-9-21(24)31-4/h7-14,29H,5-6,15H2,1-4H3,(H,27,30)
InChIKeyHTHQMPOMGPONSI-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.35
Rot. Bonds9

About N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (PubChem CID 1130781) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
PubChem CID1130781
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(OC)cccc23)c(O)c1
InChIInChI=1S/C24H28N4O3S/c1-5-28(6-2)18-11-10-17(20(29)13-18)14-25-27-23(30)15-32-22-12-16(3)26-24-19(22)8-7-9-21(24)31-4/h7-14,29H,5-6,15H2,1-4H3,(H,27,30)
InChIKeyHTHQMPOMGPONSI-UHFFFAOYSA-N
XLogP4.35
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130777
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141505
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4,6-dimethylquinolin-2-yl)sulfanylacetamide
CID 3141458
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 5433687
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135708600
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)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 135468605
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 5135490
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 135717450
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4633755
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 136886939

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide (CID 1130781) is N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is CCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(OC)cccc23)c(O)c1.
What is the InChIKey of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
The InChIKey is HTHQMPOMGPONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-5-28(6-2)18-11-10-17(20(29)13-18)14-25-27-23(30)15-32-22-12-16(3)26-24-19(22)8-7-9-21(24)31-4/h7-14,29H,5-6,15H2,1-4H3,(H,27,30).
What are the key properties of N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide?
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide has a molecular weight of 452.58 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1130781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).