[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea

C17H26N4S — CID 50860564

IUPAC[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea
SMILESCCN1c2cc(C)c(/C=N\NC(N)=S)cc2C(C)CC1(C)C
InChIInChI=1S/C17H26N4S/c1-6-21-15-7-11(2)13(10-19-20-16(18)22)8-14(15)12(3)9-17(21,4)5/h7-8,10,12H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-
InChIKeyJOQHVWQLDSVGTO-GRSHGNNSSA-N
MW318.49 g/mol
LogP3.27
Rot. Bonds3

About [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea

[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea (PubChem CID 50860564) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea
PubChem CID50860564
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea
SMILESCCN1c2cc(C)c(/C=N\NC(N)=S)cc2C(C)CC1(C)C
InChIInChI=1S/C17H26N4S/c1-6-21-15-7-11(2)13(10-19-20-16(18)22)8-14(15)12(3)9-17(21,4)5/h7-8,10,12H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-
InChIKeyJOQHVWQLDSVGTO-GRSHGNNSSA-N
XLogP3.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50860573
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-phenylacetamide
CID 50860662
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]-4-hydroxybenzamide
CID 124649236
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50860496
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiophene-2-carboxamide
CID 133170605
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50860670
N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]naphthalene-2-carboxamide
CID 124649278
2-chloro-N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 133170614
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170587
N-[(E)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 133170593
[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
CID 50861940
2-(4-chlorophenoxy)-N-[(Z)-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 124649271

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea (CID 50860564) is [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea is CCN1c2cc(C)c(/C=N\NC(N)=S)cc2C(C)CC1(C)C.
What is the InChIKey of [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea?
The InChIKey is JOQHVWQLDSVGTO-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H26N4S/c1-6-21-15-7-11(2)13(10-19-20-16(18)22)8-14(15)12(3)9-17(21,4)5/h7-8,10,12H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-.
What are the key properties of [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea?
[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea has a molecular weight of 318.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea is sourced from PubChem (CID 50860564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).