methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate

C25H21NO2 — CID 132581240

IUPACmethyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1cc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C25H21NO2/c1-17-9-8-12-19(15-17)23-16-21(20-13-6-7-14-22(20)26-23)24(25(27)28-2)18-10-4-3-5-11-18/h3-16,24H,1-2H3
InChIKeyBJAXMCUWHUOCAG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.52
Rot. Bonds4

About methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate

methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate (PubChem CID 132581240) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
PubChem CID132581240
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Namemethyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)c1cc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C25H21NO2/c1-17-9-8-12-19(15-17)23-16-21(20-13-6-7-14-22(20)26-23)24(25(27)28-2)18-10-4-3-5-11-18/h3-16,24H,1-2H3
InChIKeyBJAXMCUWHUOCAG-UHFFFAOYSA-N
XLogP5.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
CID 141464129
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
methyl (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 15411310
methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
CID 67629826
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate?
The IUPAC name of methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate (CID 132581240) is methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate.
What is the SMILES notation for methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate?
The canonical SMILES for methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate is COC(=O)C(c1ccccc1)c1cc(-c2cccc(C)c2)nc2ccccc12.
What is the InChIKey of methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate?
The InChIKey is BJAXMCUWHUOCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-17-9-8-12-19(15-17)23-16-21(20-13-6-7-14-22(20)26-23)24(25(27)28-2)18-10-4-3-5-11-18/h3-16,24H,1-2H3.
What are the key properties of methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate?
methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate has a molecular weight of 367.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate is sourced from PubChem (CID 132581240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).