(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C16H17ClN2O2 — CID 50963476

IUPAC(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H17ClN2O2/c1-21-10-12-5-3-9-19(12)16(20)14-8-7-11-4-2-6-13(17)15(11)18-14/h2,4,6-8,12H,3,5,9-10H2,1H3/t12-/m0/s1
InChIKeyYDZLHTJOODGHOB-LBPRGKRZSA-N
MW304.78 g/mol
LogP3.14
Rot. Bonds3

About (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 50963476) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID50963476
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H17ClN2O2/c1-21-10-12-5-3-9-19(12)16(20)14-8-7-11-4-2-6-13(17)15(11)18-14/h2,4,6-8,12H,3,5,9-10H2,1H3/t12-/m0/s1
InChIKeyYDZLHTJOODGHOB-LBPRGKRZSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 50963476) is (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1CCCN1C(=O)c1ccc2cccc(Cl)c2n1.
What is the InChIKey of (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YDZLHTJOODGHOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-10-12-5-3-9-19(12)16(20)14-8-7-11-4-2-6-13(17)15(11)18-14/h2,4,6-8,12H,3,5,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50963476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).