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

C16H21N3 — CID 106780430

IUPAC2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ccnc1CC1Nc2ccccc2CC1C
InChIInChI=1S/C16H21N3/c1-3-19-9-8-17-16(19)11-15-12(2)10-13-6-4-5-7-14(13)18-15/h4-9,12,15,18H,3,10-11H2,1-2H3
InChIKeyFJWXLPIRPNTAOQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.12
Rot. Bonds3

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

2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106780430) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106780430
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ccnc1CC1Nc2ccccc2CC1C
InChIInChI=1S/C16H21N3/c1-3-19-9-8-17-16(19)11-15-12(2)10-13-6-4-5-7-14(13)18-15/h4-9,12,15,18H,3,10-11H2,1-2H3
InChIKeyFJWXLPIRPNTAOQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955897
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
2-[2-(1-propylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 79761911
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline (CID 106780430) is 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline is CCn1ccnc1CC1Nc2ccccc2CC1C.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is FJWXLPIRPNTAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-9-8-17-16(19)11-15-12(2)10-13-6-4-5-7-14(13)18-15/h4-9,12,15,18H,3,10-11H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline?
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 255.37 g/mol, XLogP of 3.12, 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]-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).