(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone

C16H14ClN5O2 — CID 154756968

IUPAC(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C16H14ClN5O2/c17-11-6-10-2-1-4-18-14(10)12(7-11)15(23)22-5-3-16(24,9-22)13-8-19-21-20-13/h1-2,4,6-8,24H,3,5,9H2,(H,19,20,21)
InChIKeyRNLYUPQKPIGPKA-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.74
Rot. Bonds2

About (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone

(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 154756968) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID154756968
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C16H14ClN5O2/c17-11-6-10-2-1-4-18-14(10)12(7-11)15(23)22-5-3-16(24,9-22)13-8-19-21-20-13/h1-2,4,6-8,24H,3,5,9H2,(H,19,20,21)
InChIKeyRNLYUPQKPIGPKA-UHFFFAOYSA-N
XLogP1.74
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
(5,6-dimethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 167793651
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
(2,4-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482684
(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128981867
[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 129484688
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 128980534
(4aR,8aS)-6-(6-chloroquinoline-8-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 166294355
[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 167750937
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 128981886

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone (CID 154756968) is (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(Cl)cc2cccnc12)N1CCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RNLYUPQKPIGPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-11-6-10-2-1-4-18-14(10)12(7-11)15(23)22-5-3-16(24,9-22)13-8-19-21-20-13/h1-2,4,6-8,24H,3,5,9H2,(H,19,20,21).
What are the key properties of (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone?
(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 343.77 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154756968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).