(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

C19H22ClN5O — CID 162644579

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1
InChIInChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyOLMWBKRZIIJUSJ-CQSZACIVSA-N
MW371.87 g/mol
LogP3.30
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (PubChem CID 162644579) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
PubChem CID162644579
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1
InChIInChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyOLMWBKRZIIJUSJ-CQSZACIVSA-N
XLogP3.30
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (CID 162644579) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The InChIKey is OLMWBKRZIIJUSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone has a molecular weight of 371.87 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 162644579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).