methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate

C19H21NO2 — CID 70873155

IUPACmethyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C19H21NO2/c1-13-16(12-18(21)22-2)19(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyLFVXEHSIOQETDR-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.65
Rot. Bonds3

About methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate

methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate (PubChem CID 70873155) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate
PubChem CID70873155
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2c(c1-c1ccccc1)CCCC2
InChIInChI=1S/C19H21NO2/c1-13-16(12-18(21)22-2)19(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKeyLFVXEHSIOQETDR-UHFFFAOYSA-N
XLogP3.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methyl-6-phenyl-2-piperidin-1-ylpyrimidin-5-yl)acetate
CID 66956368
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131891615
methyl 2-[11-methyl-13-(4-methylphenyl)-5-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl]acetate
CID 66597223
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
CID 100654815
2-methyl-11-phenyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 122224204
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
CID 619716

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate (CID 70873155) is methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate is COC(=O)Cc1c(C)nc2c(c1-c1ccccc1)CCCC2.
What is the InChIKey of methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate?
The InChIKey is LFVXEHSIOQETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-16(12-18(21)22-2)19(14-8-4-3-5-9-14)15-10-6-7-11-17(15)20-13/h3-5,8-9H,6-7,10-12H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate?
methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate has a molecular weight of 295.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-4-phenyl-5,6,7,8-tetrahydroquinolin-3-yl)acetate is sourced from PubChem (CID 70873155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).