2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 64955897

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCn1ccnc1CC1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)11-13-8-7-12-5-3-4-6-14(12)17-13/h3-6,9-10,13,17H,2,7-8,11H2,1H3
InChIKeyUIKKCDKEDNIPKB-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.87
Rot. Bonds3

About 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline

2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 64955897) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID64955897
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCn1ccnc1CC1CCc2ccccc2N1
InChIInChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)11-13-8-7-12-5-3-4-6-14(12)17-13/h3-6,9-10,13,17H,2,7-8,11H2,1H3
InChIKeyUIKKCDKEDNIPKB-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662296
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662301
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780431
2-benzylquinoxaline;(2R)-2-benzyl-1,2,3,4-tetrahydroquinoline
CID 159770483
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 64955897) is 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCn1ccnc1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is UIKKCDKEDNIPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-18-10-9-16-15(18)11-13-8-7-12-5-3-4-6-14(12)17-13/h3-6,9-10,13,17H,2,7-8,11H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 64955897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).