N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide

C24H28N4OS — CID 3141505

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H28N4OS/c1-5-28(6-2)20-12-10-19(11-13-20)15-25-27-23(29)16-30-22-14-18(4)26-24-17(3)8-7-9-21(22)24/h7-15H,5-6,16H2,1-4H3,(H,27,29)
InChIKeyCXICNCXIWCGUAH-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.94
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide

N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide (PubChem CID 3141505) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
PubChem CID3141505
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C24H28N4OS/c1-5-28(6-2)20-12-10-19(11-13-20)15-25-27-23(29)16-30-22-14-18(4)26-24-17(3)8-7-9-21(22)24/h7-15H,5-6,16H2,1-4H3,(H,27,29)
InChIKeyCXICNCXIWCGUAH-UHFFFAOYSA-N
XLogP4.94
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 1130746
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130777
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 5433687
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130781
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135708600
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6865416
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(2,5-dimethylphenyl)acetamide
CID 126370340
4-[(Z)-[[2-(2,6-dimethylquinolin-4-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 5433692
N-[(4-bromophenyl)methylideneamino]-2-(2,6-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141494
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide (CID 3141505) is N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide is CCN(CC)c1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide?
The InChIKey is CXICNCXIWCGUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-5-28(6-2)20-12-10-19(11-13-20)15-25-27-23(29)16-30-22-14-18(4)26-24-17(3)8-7-9-21(22)24/h7-15H,5-6,16H2,1-4H3,(H,27,29).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide has a molecular weight of 420.58 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).