propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate

C26H23NO2 — CID 141464129

IUPACpropan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
SMILESCC(C)OC(=O)C(c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H23NO2/c1-18(2)29-26(28)25(20-13-7-4-8-14-20)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3-18,25H,1-2H3
InChIKeyHGDOPEFYHSRYBU-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.99
Rot. Bonds5

About propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate

propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate (PubChem CID 141464129) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
PubChem CID141464129
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Namepropan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
SMILESCC(C)OC(=O)C(c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H23NO2/c1-18(2)29-26(28)25(20-13-7-4-8-14-20)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3-18,25H,1-2H3
InChIKeyHGDOPEFYHSRYBU-UHFFFAOYSA-N
XLogP5.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(3-methylphenyl)quinolin-4-yl]-2-phenylacetate
CID 132581240
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N,N,2-trimethyl-3-(2-phenylquinolin-4-yl)propanamide;hydrochloride
CID 21283571
[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
CID 7782208
2-(methylamino)-1-(2-phenylquinolin-4-yl)ethanol
CID 90669595
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 16522008
methyl (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 15411310

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate (CID 141464129) is propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate is CC(C)OC(=O)C(c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate?
The InChIKey is HGDOPEFYHSRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-18(2)29-26(28)25(20-13-7-4-8-14-20)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3-18,25H,1-2H3.
What are the key properties of propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate?
propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate has a molecular weight of 381.48 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate is sourced from PubChem (CID 141464129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).