(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone

C19H21Cl2N5O — CID 162676406

IUPAC(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C19H21Cl2N5O/c1-23-7-12-26(16-5-4-14(20)13-17(16)23)19(27)25-10-8-24(9-11-25)18-15(21)3-2-6-22-18/h2-6,13H,7-12H2,1H3
InChIKeyVKOQDRQSQQGEAH-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.59
Rot. Bonds1

About (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone

(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 162676406) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID162676406
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C19H21Cl2N5O/c1-23-7-12-26(16-5-4-14(20)13-17(16)23)19(27)25-10-8-24(9-11-25)18-15(21)3-2-6-22-18/h2-6,13H,7-12H2,1H3
InChIKeyVKOQDRQSQQGEAH-UHFFFAOYSA-N
XLogP3.59
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

n-(2-Chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 752316
2-[4-(4-Chlorophenyl)piperazin-1-yl]quinoxaline
CID 2764801
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-iodo-phenyl)-amide
CID 21037636
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-chloro-phenyl)-amide
CID 21037674
6-Chloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydro-2,3-quinoxalinedione
CID 1471936
3-(5-Chloro-2-pyridinyl)-9-heptan-4-yl-6-methyl-1,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 11246568
N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 11267528
6-Chloro-2-(4-methylpiperazin-1-yl)quinoxaline;hydrochloride
CID 12686452
N-(3-chlorophenyl)-4-methyl-3,4-dihydropyrido[2,3-b]pyrazine-1(2H)-carboxamide
CID 16009968
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 162644579
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(2R)-2-methyl-4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 162645370
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 162646537

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone (CID 162676406) is (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone is CN1CCN(C(=O)N2CCN(c3ncccc3Cl)CC2)c2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is VKOQDRQSQQGEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-23-7-12-26(16-5-4-14(20)13-17(16)23)19(27)25-10-8-24(9-11-25)18-15(21)3-2-6-22-18/h2-6,13H,7-12H2,1H3.
What are the key properties of (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone?
(6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 406.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162676406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).