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

C20H24ClN5O — CID 162645370

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1
InChIInChI=1S/C20H24ClN5O/c1-14-4-3-7-23-19(14)24-10-11-25(15(2)13-24)20(27)26-9-8-22-17-12-16(21)5-6-18(17)26/h3-7,12,15,22H,8-11,13H2,1-2H3/t15-/m1/s1
InChIKeyKQNJKYICBVXZQR-OAHLLOKOSA-N
MW385.90 g/mol
LogP3.61
Rot. Bonds1

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

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 162645370) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID162645370
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1
InChIInChI=1S/C20H24ClN5O/c1-14-4-3-7-23-19(14)24-10-11-25(15(2)13-24)20(27)26-9-8-22-17-12-16(21)5-6-18(17)26/h3-7,12,15,22H,8-11,13H2,1-2H3/t15-/m1/s1
InChIKeyKQNJKYICBVXZQR-OAHLLOKOSA-N
XLogP3.61
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.61
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)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 162645370) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccnc1N1CCN(C(=O)N2CCNc3cc(Cl)ccc32)[C@H](C)C1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is KQNJKYICBVXZQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-14-4-3-7-23-19(14)24-10-11-25(15(2)13-24)20(27)26-9-8-22-17-12-16(21)5-6-18(17)26/h3-7,12,15,22H,8-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 385.90 g/mol, XLogP of 3.61, 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)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162645370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).