4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline

C16H22N2 — CID 145072065

IUPAC4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
SMILESCCC1c2ccccc2N2C=CN(C)C2C1CC
InChIInChI=1S/C16H22N2/c1-4-12-13(5-2)16-17(3)10-11-18(16)15-9-7-6-8-14(12)15/h6-13,16H,4-5H2,1-3H3
InChIKeyVXFKQNNRTMPICU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.77
Rot. Bonds2

About 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline

4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline (PubChem CID 145072065) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
PubChem CID145072065
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
SMILESCCC1c2ccccc2N2C=CN(C)C2C1CC
InChIInChI=1S/C16H22N2/c1-4-12-13(5-2)16-17(3)10-11-18(16)15-9-7-6-8-14(12)15/h6-13,16H,4-5H2,1-3H3
InChIKeyVXFKQNNRTMPICU-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3,5,5-trimethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782316
3,4,5,5-tetramethyl-3a,4-dihydroimidazo[1,2-a]quinoline
CID 144782356
4-ethenyl-3-methyl-5-[2-[2-(2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethyl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
CID 146261753
3,5-dimethyl-4-[1-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazin-2-yl]-4,5-dihydro-3aH-imidazo[1,2-a]quinoline
CID 126497137
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
1,3,15,17-tetramethyl-3,6,12,15-tetrazapentacyclo[9.6.1.02,6.07,18.012,16]octadeca-4,7,9,11(18),13-pentaene
CID 129254186
2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene
CID 70850186
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
1-(3-ethyl-2-propyl-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 20830362
2,18-diethyl-1,2,4,16,18-pentamethyl-4,7,13,16-tetrazapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8(19),9,11,14-pentaene
CID 123333403
29-methyl-19-methylidene-3-phenyl-3,5,8,10,26,29-hexazaheptacyclo[15.13.0.02,10.04,9.011,16.020,25.026,30]triaconta-4,6,8,11,13,15,20,22,24,27-decaene
CID 135163901
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?
The IUPAC name of 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline (CID 145072065) is 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline.
What is the SMILES notation for 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?
The canonical SMILES for 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline is CCC1c2ccccc2N2C=CN(C)C2C1CC.
What is the InChIKey of 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?
The InChIKey is VXFKQNNRTMPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-12-13(5-2)16-17(3)10-11-18(16)15-9-7-6-8-14(12)15/h6-13,16H,4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline?
4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline has a molecular weight of 242.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-methyl-4,5-dihydro-3aH-imidazo[1,2-a]quinoline is sourced from PubChem (CID 145072065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).