ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate

C23H25NO5 — CID 95792847

IUPACethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H25NO5/c1-4-28-20(25)13-18(15-9-11-16(12-10-15)29-14(2)3)21-22(26)17-7-5-6-8-19(17)24-23(21)27/h5-12,14,18H,4,13H2,1-3H3,(H2,24,26,27)/t18-/m1/s1
InChIKeyXVYAHVODXQFSTO-GOSISDBHSA-N
MW395.46 g/mol
LogP4.11
Rot. Bonds7

About ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate

ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate (PubChem CID 95792847) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate
PubChem CID95792847
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nameethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCCOC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H25NO5/c1-4-28-20(25)13-18(15-9-11-16(12-10-15)29-14(2)3)21-22(26)17-7-5-6-8-19(17)24-23(21)27/h5-12,14,18H,4,13H2,1-3H3,(H2,24,26,27)/t18-/m1/s1
InChIKeyXVYAHVODXQFSTO-GOSISDBHSA-N
XLogP4.11
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate with MolForge

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Related Compounds

ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
CID 91972743
ethyl (3S)-3-(3,4-dimethoxyphenyl)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 95793135
ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
CID 95793020
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
ethyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 95859408
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 4-(9H-carbazol-2-yl)-3,4-dihydroxybutanoate
CID 171898377
4-hydroxy-3-(1-phenylpropyl)-7-propan-2-yloxychromen-2-one
CID 54728306
propyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-phenylpropanoate
CID 87781345

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate (CID 95792847) is ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate is CCOC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The InChIKey is XVYAHVODXQFSTO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25NO5/c1-4-28-20(25)13-18(15-9-11-16(12-10-15)29-14(2)3)21-22(26)17-7-5-6-8-19(17)24-23(21)27/h5-12,14,18H,4,13H2,1-3H3,(H2,24,26,27)/t18-/m1/s1.
What are the key properties of ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate has a molecular weight of 395.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-(4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 95792847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).