(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide

C19H23N3O — CID 94652787

IUPAC(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-13-5-11-17(22)14-6-1-2-7-14)21-16-10-3-8-15-9-4-12-20-18(15)16/h3-4,8-10,12,14,17H,1-2,5-7,11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyJUKOQAJEFVBTJK-KRWDZBQOSA-N
MW309.41 g/mol
LogP4.42
Rot. Bonds2

About (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide

(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide (PubChem CID 94652787) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
PubChem CID94652787
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C19H23N3O/c23-19(22-13-5-11-17(22)14-6-1-2-7-14)21-16-10-3-8-15-9-4-12-20-18(15)16/h3-4,8-10,12,14,17H,1-2,5-7,11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyJUKOQAJEFVBTJK-KRWDZBQOSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 48791386
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
3-(2-ethylpiperidin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108952272
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 121022748
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide (CID 94652787) is (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2cccnc12)N1CCC[C@H]1C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The InChIKey is JUKOQAJEFVBTJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(22-13-5-11-17(22)14-6-1-2-7-14)21-16-10-3-8-15-9-4-12-20-18(15)16/h3-4,8-10,12,14,17H,1-2,5-7,11,13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide?
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94652787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).