(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide

C19H16ClFN4O — CID 177228252

IUPAC(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1NCC[C@@H]1c1cnc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN4O/c20-18-14(21)9-12(10-24-18)13-6-8-23-17(13)19(26)25-15-5-1-3-11-4-2-7-22-16(11)15/h1-5,7,9-10,13,17,23H,6,8H2,(H,25,26)/t13-,17-/m1/s1
InChIKeyPIXGEQSFRWYXOC-CXAGYDPISA-N
MW370.82 g/mol
LogP3.51
Rot. Bonds3

About (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide

(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide (PubChem CID 177228252) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide
PubChem CID177228252
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)[C@@H]1NCC[C@@H]1c1cnc(Cl)c(F)c1
InChIInChI=1S/C19H16ClFN4O/c20-18-14(21)9-12(10-24-18)13-6-8-23-17(13)19(26)25-15-5-1-3-11-4-2-7-22-16(11)15/h1-5,7,9-10,13,17,23H,6,8H2,(H,25,26)/t13-,17-/m1/s1
InChIKeyPIXGEQSFRWYXOC-CXAGYDPISA-N
XLogP3.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 177228282
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
(2R,3S)-3-(4-ethynylphenyl)-N-quinolin-8-ylazetidine-2-carboxamide
CID 176615733
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide (CID 177228252) is (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide is O=C(Nc1cccc2cccnc12)[C@@H]1NCC[C@@H]1c1cnc(Cl)c(F)c1.
What is the InChIKey of (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide?
The InChIKey is PIXGEQSFRWYXOC-CXAGYDPISA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-18-14(21)9-12(10-24-18)13-6-8-23-17(13)19(26)25-15-5-1-3-11-4-2-7-22-16(11)15/h1-5,7,9-10,13,17,23H,6,8H2,(H,25,26)/t13-,17-/m1/s1.
What are the key properties of (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide?
(2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(6-chloro-5-fluoro-3-pyridinyl)-N-quinolin-8-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 177228252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).