methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate

C28H27NO4 — CID 175539156

IUPACmethyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate
SMILESCOC(=O)C(CC(c1ccc(OC)cc1)c1ccc2ccccc2n1)(OC)c1ccccc1
InChIInChI=1S/C28H27NO4/c1-31-23-16-13-20(14-17-23)24(26-18-15-21-9-7-8-12-25(21)29-26)19-28(33-3,27(30)32-2)22-10-5-4-6-11-22/h4-18,24H,19H2,1-3H3
InChIKeyADGFPUFFNFNFKN-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.48
Rot. Bonds8

About methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate

methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate (PubChem CID 175539156) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate
PubChem CID175539156
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Namemethyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate
SMILESCOC(=O)C(CC(c1ccc(OC)cc1)c1ccc2ccccc2n1)(OC)c1ccccc1
InChIInChI=1S/C28H27NO4/c1-31-23-16-13-20(14-17-23)24(26-18-15-21-9-7-8-12-25(21)29-26)19-28(33-3,27(30)32-2)22-10-5-4-6-11-22/h4-18,24H,19H2,1-3H3
InChIKeyADGFPUFFNFNFKN-UHFFFAOYSA-N
XLogP5.48
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-methoxyphenyl)-quinolin-2-ylmethyl]hydrazine
CID 105218693
1-(4-methoxyphenyl)-N,N-dimethyl-1-quinolin-2-ylmethanamine
CID 134953960
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
methyl 2-quinolin-2-ylhexanoate
CID 116645151
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-[3-hydroxy-1-(4-methoxyphenyl)-3,3-diphenylpropyl]acetamide
CID 26745
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
CID 51950712
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
quinolin-2-yl N-[tris(4-methoxyphenyl)methylamino]carbamate
CID 22887562

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate?
The IUPAC name of methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate (CID 175539156) is methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate.
What is the SMILES notation for methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate?
The canonical SMILES for methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate is COC(=O)C(CC(c1ccc(OC)cc1)c1ccc2ccccc2n1)(OC)c1ccccc1.
What is the InChIKey of methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate?
The InChIKey is ADGFPUFFNFNFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-31-23-16-13-20(14-17-23)24(26-18-15-21-9-7-8-12-25(21)29-26)19-28(33-3,27(30)32-2)22-10-5-4-6-11-22/h4-18,24H,19H2,1-3H3.
What are the key properties of methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate?
methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate has a molecular weight of 441.53 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(4-methoxyphenyl)-2-phenyl-4-quinolin-2-ylbutanoate is sourced from PubChem (CID 175539156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).