(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C20H23ClN4O — CID 162656367

IUPAC(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H23ClN4O/c1-15-4-2-3-5-18(15)23-10-12-24(13-11-23)20(26)25-9-8-22-17-7-6-16(21)14-19(17)25/h2-7,14,22H,8-13H2,1H3
InChIKeyBWGIKDRKITWRGO-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.82
Rot. Bonds1

About (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 162656367) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID162656367
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H23ClN4O/c1-15-4-2-3-5-18(15)23-10-12-24(13-11-23)20(26)25-9-8-22-17-7-6-16(21)14-19(17)25/h2-7,14,22H,8-13H2,1H3
InChIKeyBWGIKDRKITWRGO-UHFFFAOYSA-N
XLogP3.82
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 162656367) is (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)N2CCNc3ccc(Cl)cc32)CC1.
What is the InChIKey of (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is BWGIKDRKITWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-15-4-2-3-5-18(15)23-10-12-24(13-11-23)20(26)25-9-8-22-17-7-6-16(21)14-19(17)25/h2-7,14,22H,8-13H2,1H3.
What are the key properties of (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 370.88 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162656367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).