benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate

C28H27NO6 — CID 10972777

IUPACbenzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate
SMILESCOc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC(=O)OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C28H27NO6/c1-32-21-11-9-20(10-12-21)23-17-24-25(15-22(33-2)16-26(24)34-3)29(28(23)31)14-13-27(30)35-18-19-7-5-4-6-8-19/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyTYXOBSPYAFYWGB-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.83
Rot. Bonds9

About benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate

benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate (PubChem CID 10972777) has the molecular formula C28H27NO6 and a molecular weight of 473.53 g/mol. Its IUPAC name is benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate
PubChem CID10972777
Molecular FormulaC28H27NO6
Molecular Weight473.53 g/mol
Exact Mass473.18
IUPAC Namebenzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate
SMILESCOc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC(=O)OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C28H27NO6/c1-32-21-11-9-20(10-12-21)23-17-24-25(15-22(33-2)16-26(24)34-3)29(28(23)31)14-13-27(30)35-18-19-7-5-4-6-8-19/h4-12,15-17H,13-14,18H2,1-3H3
InChIKeyTYXOBSPYAFYWGB-UHFFFAOYSA-N
XLogP4.83
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-hydroxyphenyl)-5,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid
CID 70195964
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
benzyl 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoate
CID 7203672
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
benzyl 3-ethyl-4-(4-methoxyphenyl)furan-2-carboxylate
CID 71485303
2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid
CID 139824045
N-[(Z)-[5,7-dimethoxy-3-(4-methoxyphenyl)-1-methylquinolin-2-ylidene]amino]aniline
CID 10884201
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate?
The IUPAC name of benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate (CID 10972777) is benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate.
What is the SMILES notation for benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate?
The canonical SMILES for benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate is COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCC(=O)OCc3ccccc3)c2=O)cc1.
What is the InChIKey of benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate?
The InChIKey is TYXOBSPYAFYWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO6/c1-32-21-11-9-20(10-12-21)23-17-24-25(15-22(33-2)16-26(24)34-3)29(28(23)31)14-13-27(30)35-18-19-7-5-4-6-8-19/h4-12,15-17H,13-14,18H2,1-3H3.
What are the key properties of benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate?
benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate has a molecular weight of 473.53 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]propanoate is sourced from PubChem (CID 10972777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).