6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

C29H35Cl3N4O3 — CID 70279829

IUPAC6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H16Cl3N3O2.C14H19NO/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h3,5,8-10H,2,4,6-7H2,1H3;6-9,15H,5H2,1-4H3
InChIKeyUNRVGVIDNINZFY-UHFFFAOYSA-N
MW593.98 g/mol
LogP8.30
Rot. Bonds8

About 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (PubChem CID 70279829) has the molecular formula C29H35Cl3N4O3 and a molecular weight of 593.98 g/mol. Its IUPAC name is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound Name6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
PubChem CID70279829
Molecular FormulaC29H35Cl3N4O3
Molecular Weight593.98 g/mol
Exact Mass592.18
IUPAC Name6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
SMILESCCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C15H16Cl3N3O2.C14H19NO/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h3,5,8-10H,2,4,6-7H2,1H3;6-9,15H,5H2,1-4H3
InChIKeyUNRVGVIDNINZFY-UHFFFAOYSA-N
XLogP8.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.98
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide with MolForge

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Related Compounds

cyclohexane;ethyl acetate;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70525938
bis(1H-imidazol-2-yl)methanone;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70342778
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70468782
[3,5-dichloro-2-[2-[imidazole-1-carbonyl(propyl)amino]ethoxy]phenyl]chloranium
CID 163802816
2-amino-2-methylpropanoic acid;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 68991935
prop-2-enylbenzene;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 173159544
acetonitrile;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;2,2,2-trifluoroacetic acid;hydrate
CID 173012930
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 87409963
(1-benzylimidazol-2-yl)methanol;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 70059621
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide;1-(1-trimethylsilylethoxymethyl)pyridin-4-one
CID 68826389
6-methoxy-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 67564040

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The IUPAC name of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (CID 70279829) is 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The canonical SMILES for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
The InChIKey is UNRVGVIDNINZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3N3O2.C14H19NO/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h3,5,8-10H,2,4,6-7H2,1H3;6-9,15H,5H2,1-4H3.
What are the key properties of 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?
6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide has a molecular weight of 593.98 g/mol, XLogP of 8.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2,2,4-trimethyl-1H-quinoline;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 70279829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).