2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate

C24H18NO2- — CID 8966340

IUPAC2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
SMILESCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1
InChIInChI=1S/C24H19NO2/c1-16-11-13-18(14-12-16)24-20(15-22(26)27)23(17-7-3-2-4-8-17)19-9-5-6-10-21(19)25-24/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyLWFXJINXUFDFHZ-UHFFFAOYSA-M
MW352.41 g/mol
LogP4.17
Rot. Bonds4

About 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate

2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate (PubChem CID 8966340) has the molecular formula C24H18NO2- and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
PubChem CID8966340
Molecular FormulaC24H18NO2-
Molecular Weight352.41 g/mol
Exact Mass352.13
IUPAC Name2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
SMILESCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1
InChIInChI=1S/C24H19NO2/c1-16-11-13-18(14-12-16)24-20(15-22(26)27)23(17-7-3-2-4-8-17)19-9-5-6-10-21(19)25-24/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyLWFXJINXUFDFHZ-UHFFFAOYSA-M
XLogP4.17
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
CID 8966267
2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
CID 8966277
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
CID 8966809
6-(4-methylphenyl)phenanthridine
CID 10707098
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
methyl 2-(2,4-diphenylquinolin-3-yl)sulfanylacetate
CID 73356894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate?
The IUPAC name of 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate (CID 8966340) is 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate.
What is the SMILES notation for 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate?
The canonical SMILES for 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate is Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate?
The InChIKey is LWFXJINXUFDFHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO2/c1-16-11-13-18(14-12-16)24-20(15-22(26)27)23(17-7-3-2-4-8-17)19-9-5-6-10-21(19)25-24/h2-14H,15H2,1H3,(H,26,27)/p-1.
What are the key properties of 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate?
2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate has a molecular weight of 352.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate is sourced from PubChem (CID 8966340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).