ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate

C27H30N2O5 — CID 167498478

IUPACethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4C)cc(=O)[nH]c3c2)CC1
InChIInChI=1S/C27H30N2O5/c1-4-33-27(32)19-11-13-29(14-12-19)26(31)18(3)34-20-9-10-22-23(16-25(30)28-24(22)15-20)21-8-6-5-7-17(21)2/h5-10,15-16,18-19H,4,11-14H2,1-3H3,(H,28,30)/t18-/m1/s1
InChIKeyXFRFKLUIKVEHSZ-GOSISDBHSA-N
MW462.55 g/mol
LogP4.07
Rot. Bonds6

About ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate (PubChem CID 167498478) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate
PubChem CID167498478
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Nameethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4C)cc(=O)[nH]c3c2)CC1
InChIInChI=1S/C27H30N2O5/c1-4-33-27(32)19-11-13-29(14-12-19)26(31)18(3)34-20-9-10-22-23(16-25(30)28-24(22)15-20)21-8-6-5-7-17(21)2/h5-10,15-16,18-19H,4,11-14H2,1-3H3,(H,28,30)/t18-/m1/s1
InChIKeyXFRFKLUIKVEHSZ-GOSISDBHSA-N
XLogP4.07
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
ethyl (3S)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]-5-phenylpiperidine-3-carboxylate
CID 155119661
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703
acetic acid;4-(2-methylphenyl)-7-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxy-2H-isoquinolin-1-one
CID 167498419
ethyl (3S)-1-[2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 138498529
ethyl 2-[1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidin-3-yl]acetate
CID 151223866
ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
ethyl (3S)-1-[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]piperidine-3-carboxylate
CID 146319440
(3R)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate (CID 167498478) is ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4C)cc(=O)[nH]c3c2)CC1.
What is the InChIKey of ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate?
The InChIKey is XFRFKLUIKVEHSZ-GOSISDBHSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-4-33-27(32)19-11-13-29(14-12-19)26(31)18(3)34-20-9-10-22-23(16-25(30)28-24(22)15-20)21-8-6-5-7-17(21)2/h5-10,15-16,18-19H,4,11-14H2,1-3H3,(H,28,30)/t18-/m1/s1.
What are the key properties of ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-[[4-(2-methylphenyl)-2-oxo-1H-quinolin-7-yl]oxy]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 167498478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).