[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

C28H25NO4 — CID 18229343

IUPAC[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c1-18-24(17-26(30)33-19(2)28(31)21-13-15-22(32-3)16-14-21)27(20-9-5-4-6-10-20)23-11-7-8-12-25(23)29-18/h4-16,19H,17H2,1-3H3
InChIKeyBWKRLJFSPVLKLZ-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.58
Rot. Bonds7

About [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (PubChem CID 18229343) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
PubChem CID18229343
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C28H25NO4/c1-18-24(17-26(30)33-19(2)28(31)21-13-15-22(32-3)16-14-21)27(20-9-5-4-6-10-20)23-11-7-8-12-25(23)29-18/h4-16,19H,17H2,1-3H3
InChIKeyBWKRLJFSPVLKLZ-UHFFFAOYSA-N
XLogP5.58
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 18273294
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,3-dimethylquinoline-4-carboxylate
CID 42034173
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate
CID 55476922
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112791596
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831778
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790465
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (CID 18229343) is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is COc1ccc(C(=O)C(C)OC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The InChIKey is BWKRLJFSPVLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c1-18-24(17-26(30)33-19(2)28(31)21-13-15-22(32-3)16-14-21)27(20-9-5-4-6-10-20)23-11-7-8-12-25(23)29-18/h4-16,19H,17H2,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate has a molecular weight of 439.51 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 18229343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).