3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline

C27H36N4 — CID 160890314

IUPAC3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCCC1Cc2ccccc2N(C)C1.Cc1cn(CC2Cc3ccccc3N(C)C2)cn1
InChIInChI=1S/C15H19N3.C12H17N/c1-12-8-18(11-16-12)10-13-7-14-5-3-4-6-15(14)17(2)9-13;1-3-10-8-11-6-4-5-7-12(11)13(2)9-10/h3-6,8,11,13H,7,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3
InChIKeySOEJCCPKUWBITN-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.21
Rot. Bonds3

About 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline

3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 160890314) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID160890314
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC Name3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCCC1Cc2ccccc2N(C)C1.Cc1cn(CC2Cc3ccccc3N(C)C2)cn1
InChIInChI=1S/C15H19N3.C12H17N/c1-12-8-18(11-16-12)10-13-7-14-5-3-4-6-15(14)17(2)9-13;1-3-10-8-11-6-4-5-7-12(11)13(2)9-10/h3-6,8,11,13H,7,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3
InChIKeySOEJCCPKUWBITN-UHFFFAOYSA-N
XLogP5.21
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

ethane;3-(imidazol-1-ylmethyl)-1-methyl-3,4-dihydro-2H-quinoline
CID 142002286
4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
CID 89147179
1-methyl-3-pentyl-3,4-dihydro-2H-quinoline
CID 176730393
3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)propan-1-ol
CID 3590448
1-[(3R)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 124890461
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095506
(3R)-1-methyl-3-propan-2-yl-3,4-dihydro-2H-quinoline
CID 140914028
1-(3-ethyl-3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-1-one
CID 18735430
(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
CID 71921913
28-methyl-28-azatricyclo[18.9.0.022,27]nonacosa-22,24,26-triene
CID 166968501
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 163235914

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline (CID 160890314) is 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline is CCC1Cc2ccccc2N(C)C1.Cc1cn(CC2Cc3ccccc3N(C)C2)cn1.
What is the InChIKey of 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is SOEJCCPKUWBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.C12H17N/c1-12-8-18(11-16-12)10-13-7-14-5-3-4-6-15(14)17(2)9-13;1-3-10-8-11-6-4-5-7-12(11)13(2)9-10/h3-6,8,11,13H,7,9-10H2,1-2H3;4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline?
3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 416.61 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-[(4-methylimidazol-1-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).