(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide

C16H19N3O2 — CID 124863649

IUPAC(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-17-16(20)19-10-8-13(11-19)21-14-7-3-5-12-6-4-9-18-15(12)14/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyTXPOUBKIGYGFRQ-CYBMUJFWSA-N
MW285.35 g/mol
LogP2.42
Rot. Bonds3

About (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide

(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide (PubChem CID 124863649) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
PubChem CID124863649
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C16H19N3O2/c1-2-17-16(20)19-10-8-13(11-19)21-14-7-3-5-12-6-4-9-18-15(12)14/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyTXPOUBKIGYGFRQ-CYBMUJFWSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 91815083
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide (CID 124863649) is (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide?
The InChIKey is TXPOUBKIGYGFRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-17-16(20)19-10-8-13(11-19)21-14-7-3-5-12-6-4-9-18-15(12)14/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide?
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 124863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).