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

C21H24ClN3O — CID 162643184

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-15-4-2-3-5-18(15)16-8-11-24(12-9-16)21(26)25-13-10-23-19-14-17(22)6-7-20(19)25/h2-7,14,16,23H,8-13H2,1H3
InChIKeyRJJXULBZSBNEPW-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.88
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 162643184) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID162643184
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H24ClN3O/c1-15-4-2-3-5-18(15)16-8-11-24(12-9-16)21(26)25-13-10-23-19-14-17(22)6-7-20(19)25/h2-7,14,16,23H,8-13H2,1H3
InChIKeyRJJXULBZSBNEPW-UHFFFAOYSA-N
XLogP4.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone (CID 162643184) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone is Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is RJJXULBZSBNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-15-4-2-3-5-18(15)16-8-11-24(12-9-16)21(26)25-13-10-23-19-14-17(22)6-7-20(19)25/h2-7,14,16,23H,8-13H2,1H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 369.90 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 162643184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).