[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone

C20H19ClN2O3 — CID 70770211

IUPAC[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccco3)nc3c(Cl)cccc23)C[C@]1(C)O
InChIInChI=1S/C20H19ClN2O3/c1-12-10-23(11-20(12,2)25)19(24)14-9-16(17-7-4-8-26-17)22-18-13(14)5-3-6-15(18)21/h3-9,12,25H,10-11H2,1-2H3/t12-,20+/m1/s1
InChIKeyGPQGGIQDSQANAQ-ODXCJYRJSA-N
MW370.84 g/mol
LogP3.99
Rot. Bonds2

About [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone

[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone (PubChem CID 70770211) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
PubChem CID70770211
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(-c3ccco3)nc3c(Cl)cccc23)C[C@]1(C)O
InChIInChI=1S/C20H19ClN2O3/c1-12-10-23(11-20(12,2)25)19(24)14-9-16(17-7-4-8-26-17)22-18-13(14)5-3-6-15(18)21/h3-9,12,25H,10-11H2,1-2H3/t12-,20+/m1/s1
InChIKeyGPQGGIQDSQANAQ-ODXCJYRJSA-N
XLogP3.99
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone?
The IUPAC name of [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone (CID 70770211) is [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone?
The canonical SMILES for [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cc(-c3ccco3)nc3c(Cl)cccc23)C[C@]1(C)O.
What is the InChIKey of [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone?
The InChIKey is GPQGGIQDSQANAQ-ODXCJYRJSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-10-23(11-20(12,2)25)19(24)14-9-16(17-7-4-8-26-17)22-18-13(14)5-3-6-15(18)21/h3-9,12,25H,10-11H2,1-2H3/t12-,20+/m1/s1.
What are the key properties of [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone?
[8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone has a molecular weight of 370.84 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-(furan-2-yl)quinolin-4-yl]-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 70770211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).