[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea

C17H26N4O2 — CID 50861940

IUPAC[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
SMILESCCN1c2cc(OC)c(/C=N\NC(N)=O)cc2C(C)CC1(C)C
InChIInChI=1S/C17H26N4O2/c1-6-21-14-8-15(23-5)12(10-19-20-16(18)22)7-13(14)11(2)9-17(21,3)4/h7-8,10-11H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-
InChIKeyXJHAVLPAJOWLTH-GRSHGNNSSA-N
MW318.42 g/mol
LogP2.81
Rot. Bonds4

About [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea

[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea (PubChem CID 50861940) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
PubChem CID50861940
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea
SMILESCCN1c2cc(OC)c(/C=N\NC(N)=O)cc2C(C)CC1(C)C
InChIInChI=1S/C17H26N4O2/c1-6-21-14-8-15(23-5)12(10-19-20-16(18)22)7-13(14)11(2)9-17(21,3)4/h7-8,10-11H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-
InChIKeyXJHAVLPAJOWLTH-GRSHGNNSSA-N
XLogP2.81
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methoxybenzamide
CID 50861833
N-[(E)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]furan-2-carboxamide
CID 50861871
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 50862000
(4S)-1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde
CID 99130482
N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 50860529
2-methoxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50863864
[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]thiourea
CID 50860564
methyl 4-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-methylbenzoate
CID 50862176
1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-(2-methoxyphenyl)urea
CID 50861519
N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 50863863
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50863929
N-(2,5-dimethylphenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862167

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea (CID 50861940) is [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea is CCN1c2cc(OC)c(/C=N\NC(N)=O)cc2C(C)CC1(C)C.
What is the InChIKey of [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
The InChIKey is XJHAVLPAJOWLTH-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-6-21-14-8-15(23-5)12(10-19-20-16(18)22)7-13(14)11(2)9-17(21,3)4/h7-8,10-11H,6,9H2,1-5H3,(H3,18,20,22)/b19-10-.
What are the key properties of [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea?
[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea has a molecular weight of 318.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]urea is sourced from PubChem (CID 50861940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).