methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate

C25H24ClFN2O4 — CID 155141126

IUPACmethyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1
InChIInChI=1S/C25H24ClFN2O4/c1-15(24(30)29-11-3-4-16(14-29)25(31)32-2)33-18-6-8-21-19(9-10-28-23(21)13-18)20-7-5-17(27)12-22(20)26/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/t15-,16-/m1/s1
InChIKeyJCZFYXYPLRJAKU-HZPDHXFCSA-N
MW470.93 g/mol
LogP4.87
Rot. Bonds5

About methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate

methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate (PubChem CID 155141126) has the molecular formula C25H24ClFN2O4 and a molecular weight of 470.93 g/mol. Its IUPAC name is methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
PubChem CID155141126
Molecular FormulaC25H24ClFN2O4
Molecular Weight470.93 g/mol
Exact Mass470.14
IUPAC Namemethyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1
InChIInChI=1S/C25H24ClFN2O4/c1-15(24(30)29-11-3-4-16(14-29)25(31)32-2)33-18-6-8-21-19(9-10-28-23(21)13-18)20-7-5-17(27)12-22(20)26/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/t15-,16-/m1/s1
InChIKeyJCZFYXYPLRJAKU-HZPDHXFCSA-N
XLogP4.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 155127340
ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286
(3S)-1-[(2R)-2-[1-chloro-4-(2-chloro-4-fluorophenyl)isoquinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 167498321
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(2-oxa-8-azaspiro[3.5]nonan-8-yl)propan-1-one
CID 155127567
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
CID 155694759
N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
CID 164782110
[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 155694793
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 155127499

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate (CID 155141126) is methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate is COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1.
What is the InChIKey of methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate?
The InChIKey is JCZFYXYPLRJAKU-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H24ClFN2O4/c1-15(24(30)29-11-3-4-16(14-29)25(31)32-2)33-18-6-8-21-19(9-10-28-23(21)13-18)20-7-5-17(27)12-22(20)26/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate?
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate has a molecular weight of 470.93 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 155141126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).