[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate

C23H24N2O2 — CID 97088245

IUPAC[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c1-17(20-14-19-10-5-6-11-21(19)24-15-20)27-23(26)22-12-7-13-25(22)16-18-8-3-2-4-9-18/h2-6,8-11,14-15,17,22H,7,12-13,16H2,1H3/t17-,22-/m0/s1
InChIKeyFWGDKNXPLGEOIE-JTSKRJEESA-N
MW360.46 g/mol
LogP4.50
Rot. Bonds5

About [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate

[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate (PubChem CID 97088245) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate
PubChem CID97088245
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H24N2O2/c1-17(20-14-19-10-5-6-11-21(19)24-15-20)27-23(26)22-12-7-13-25(22)16-18-8-3-2-4-9-18/h2-6,8-11,14-15,17,22H,7,12-13,16H2,1H3/t17-,22-/m0/s1
InChIKeyFWGDKNXPLGEOIE-JTSKRJEESA-N
XLogP4.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate
CID 75370802
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
[(1R)-1-quinolin-3-ylethyl] 2-morpholin-4-ylacetate
CID 97308909
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
2-propan-2-yloxyethyl 1-benzylpiperidine-2-carboxylate
CID 75373371
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate?
The IUPAC name of [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate (CID 97088245) is [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate is C[C@H](OC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cnc2ccccc2c1.
What is the InChIKey of [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate?
The InChIKey is FWGDKNXPLGEOIE-JTSKRJEESA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(20-14-19-10-5-6-11-21(19)24-15-20)27-23(26)22-12-7-13-25(22)16-18-8-3-2-4-9-18/h2-6,8-11,14-15,17,22H,7,12-13,16H2,1H3/t17-,22-/m0/s1.
What are the key properties of [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate?
[(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-quinolin-3-ylethyl] (2S)-1-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 97088245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).