1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea

C20H24N4S — CID 6109074

IUPAC1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea
SMILESCCN1CCCc2cc(/C=N\NC(=S)Nc3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N4S/c1-3-24-11-5-7-17-13-16(9-10-19(17)24)14-21-23-20(25)22-18-8-4-6-15(2)12-18/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H2,22,23,25)/b21-14-
InChIKeyISEWVCNUUXJXQT-STZFKDTASA-N
MW352.51 g/mol
LogP4.09
Rot. Bonds4

About 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea

1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea (PubChem CID 6109074) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea
PubChem CID6109074
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea
SMILESCCN1CCCc2cc(/C=N\NC(=S)Nc3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N4S/c1-3-24-11-5-7-17-13-16(9-10-19(17)24)14-21-23-20(25)22-18-8-4-6-15(2)12-18/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H2,22,23,25)/b21-14-
InChIKeyISEWVCNUUXJXQT-STZFKDTASA-N
XLogP4.09
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.09
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'}

Analyze 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea with MolForge

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Related Compounds

1-(3-methylphenyl)-3-[(Z)-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 6056624
1-(3-chlorophenyl)-3-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 4112377
1-(3-chlorophenyl)-3-[(Z)-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 6036727
1-(2-chloro-4-methylphenyl)-3-[(E)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 46372565
1-(4-methylphenyl)-3-[(Z)-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 6260015
1-(2,6-dimethylphenyl)-3-[(E)-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 46372752
1-(2,3-dimethylphenyl)-3-[(E)-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]thiourea
CID 46372754
1-[(E)-(4-ethoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 5332459
1-[(E)-(4-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 6898031
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
6-ethenyl-1-ethyl-3,4-dihydro-2H-quinoline
CID 170444076
1-[(E)-(2-bromophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 45054455

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea (CID 6109074) is 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea is CCN1CCCc2cc(/C=N\NC(=S)Nc3cccc(C)c3)ccc21.
What is the InChIKey of 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea?
The InChIKey is ISEWVCNUUXJXQT-STZFKDTASA-N. The full InChI is InChI=1S/C20H24N4S/c1-3-24-11-5-7-17-13-16(9-10-19(17)24)14-21-23-20(25)22-18-8-4-6-15(2)12-18/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3,(H2,22,23,25)/b21-14-.
What are the key properties of 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea?
1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea has a molecular weight of 352.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylideneamino]-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 6109074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).