methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate

C21H25NO2 — CID 122525936

IUPACmethyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccccc1)CC(C)CC2
InChIInChI=1S/C21H25NO2/c1-13(2)20-19(21(23)24-4)18(15-8-6-5-7-9-15)16-12-14(3)10-11-17(16)22-20/h5-9,13-14H,10-12H2,1-4H3
InChIKeyLYRLPGHIFKBCPM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.78
Rot. Bonds3

About methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate

methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 122525936) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID122525936
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namemethyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)nc2c(c1-c1ccccc1)CC(C)CC2
InChIInChI=1S/C21H25NO2/c1-13(2)20-19(21(23)24-4)18(15-8-6-5-7-9-15)16-12-14(3)10-11-17(16)22-20/h5-9,13-14H,10-12H2,1-4H3
InChIKeyLYRLPGHIFKBCPM-UHFFFAOYSA-N
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]benzoate
CID 7731997
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4002903
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139103
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997268
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2638405
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 8997272
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139093
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2652513
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
methyl 6-(4-fluorophenyl)-8-propan-2-yl-1,2,3,5-tetrahydropyrido[2,3-e][1,4]oxazepine-7-carboxylate
CID 69310281
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2696061
methyl (6R)-6-methyl-2-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6974776

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 122525936) is methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is COC(=O)c1c(C(C)C)nc2c(c1-c1ccccc1)CC(C)CC2.
What is the InChIKey of methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is LYRLPGHIFKBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13(2)20-19(21(23)24-4)18(15-8-6-5-7-9-15)16-12-14(3)10-11-17(16)22-20/h5-9,13-14H,10-12H2,1-4H3.
What are the key properties of methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate?
methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-phenyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 122525936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).