ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate

C17H20N2O2 — CID 79232010

IUPACethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)16-8-5-11-19(16)12-13-9-10-18-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16H,2,5,8,11-12H2,1H3
InChIKeyGDSSZEJQQDYVEC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.76
Rot. Bonds4

About ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate

ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 79232010) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID79232010
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1ccnc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)16-8-5-11-19(16)12-13-9-10-18-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16H,2,5,8,11-12H2,1H3
InChIKeyGDSSZEJQQDYVEC-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
[(2R)-1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79240208
[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 79241362
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
morpholin-4-yl-[(2S)-1-(quinolin-5-ylmethyl)pyrrolidin-2-yl]methanone
CID 77081618
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate (CID 79232010) is ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1ccnc2ccccc12.
What is the InChIKey of ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is GDSSZEJQQDYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-21-17(20)16-8-5-11-19(16)12-13-9-10-18-15-7-4-3-6-14(13)15/h3-4,6-7,9-10,16H,2,5,8,11-12H2,1H3.
What are the key properties of ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate?
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 79232010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).