(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide

C16H19N3O — CID 81428574

IUPAC(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccc2cccnc12)[C@@H]1CCCN1
InChIInChI=1S/C16H19N3O/c20-16(14-7-3-9-17-14)19-11-8-13-5-1-4-12-6-2-10-18-15(12)13/h1-2,4-6,10,14,17H,3,7-9,11H2,(H,19,20)/t14-/m0/s1
InChIKeyGZSYNYMYFXSMSE-AWEZNQCLSA-N
MW269.35 g/mol
LogP1.65
Rot. Bonds4

About (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide

(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 81428574) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
PubChem CID81428574
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccc2cccnc12)[C@@H]1CCCN1
InChIInChI=1S/C16H19N3O/c20-16(14-7-3-9-17-14)19-11-8-13-5-1-4-12-6-2-10-18-15(12)13/h1-2,4-6,10,14,17H,3,7-9,11H2,(H,19,20)/t14-/m0/s1
InChIKeyGZSYNYMYFXSMSE-AWEZNQCLSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-8-ylmethyl)azepane-2-carboxamide
CID 81427479
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
2-piperidin-4-yl-N-(2-quinolin-8-ylethyl)acetamide;dihydrochloride
CID 119840582
1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
CID 86952686
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide (CID 81428574) is (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1cccc2cccnc12)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is GZSYNYMYFXSMSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(14-7-3-9-17-14)19-11-8-13-5-1-4-12-6-2-10-18-15(12)13/h1-2,4-6,10,14,17H,3,7-9,11H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 81428574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).