2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate

C26H22NO2- — CID 8966267

IUPAC2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
SMILESCCCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1
InChIInChI=1S/C26H23NO2/c1-2-8-18-13-15-20(16-14-18)26-22(17-24(28)29)25(19-9-4-3-5-10-19)21-11-6-7-12-23(21)27-26/h3-7,9-16H,2,8,17H2,1H3,(H,28,29)/p-1
InChIKeyHGIWCLJMSWNQSL-UHFFFAOYSA-M
MW380.47 g/mol
LogP4.81
Rot. Bonds6

About 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate

2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate (PubChem CID 8966267) has the molecular formula C26H22NO2- and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate.

Molecular Properties

Compound Name2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
PubChem CID8966267
Molecular FormulaC26H22NO2-
Molecular Weight380.47 g/mol
Exact Mass380.17
IUPAC Name2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate
SMILESCCCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1
InChIInChI=1S/C26H23NO2/c1-2-8-18-13-15-20(16-14-18)26-22(17-24(28)29)25(19-9-4-3-5-10-19)21-11-6-7-12-23(21)27-26/h3-7,9-16H,2,8,17H2,1H3,(H,28,29)/p-1
InChIKeyHGIWCLJMSWNQSL-UHFFFAOYSA-M
XLogP4.81
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)-4-phenylquinolin-3-yl]acetate
CID 8966340
2-[2-(5-chlorothiophen-2-yl)-4-phenylquinolin-3-yl]acetate
CID 8966277
4-methyl-2-phenyl-3-propylquinoline
CID 39902639
2-(3-ethyl-2-phenylquinolin-4-yl)acetic acid
CID 21283577
2-[6-chloro-4-(2-chlorophenyl)-2-phenylquinolin-3-yl]acetate
CID 8966809
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
methyl 2-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112822200
1-phenyl-4-propylbenzene;2-(4-propylphenyl)benzoate
CID 23324392
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
CID 175306290
CID 175306290

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate?
The IUPAC name of 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate (CID 8966267) is 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate.
What is the SMILES notation for 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate?
The canonical SMILES for 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate is CCCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cc1.
What is the InChIKey of 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate?
The InChIKey is HGIWCLJMSWNQSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23NO2/c1-2-8-18-13-15-20(16-14-18)26-22(17-24(28)29)25(19-9-4-3-5-10-19)21-11-6-7-12-23(21)27-26/h3-7,9-16H,2,8,17H2,1H3,(H,28,29)/p-1.
What are the key properties of 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate?
2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate has a molecular weight of 380.47 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-(4-propylphenyl)quinolin-3-yl]acetate is sourced from PubChem (CID 8966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).