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

C18H20ClN5O — CID 162646537

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN5O/c19-14-4-5-16-15(13-14)20-7-8-24(16)18(25)23-11-9-22(10-12-23)17-3-1-2-6-21-17/h1-6,13,20H,7-12H2
InChIKeyCHQIKNYHGQHEJO-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.91
Rot. Bonds1

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

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 162646537) has the molecular formula C18H20ClN5O and a molecular weight of 357.84 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID162646537
Molecular FormulaC18H20ClN5O
Molecular Weight357.84 g/mol
Exact Mass357.14
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN5O/c19-14-4-5-16-15(13-14)20-7-8-24(16)18(25)23-11-9-22(10-12-23)17-3-1-2-6-21-17/h1-6,13,20H,7-12H2
InChIKeyCHQIKNYHGQHEJO-UHFFFAOYSA-N
XLogP2.91
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.91
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)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 162646537) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccn2)CC1)N1CCNc2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CHQIKNYHGQHEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-14-4-5-16-15(13-14)20-7-8-24(16)18(25)23-11-9-22(10-12-23)17-3-1-2-6-21-17/h1-6,13,20H,7-12H2.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 357.84 g/mol, XLogP of 2.91, 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)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 162646537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).