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

C19H22ClN5O — CID 162668040

IUPAC(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1
InChIInChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m0/s1
InChIKeyOLMWBKRZIIJUSJ-AWEZNQCLSA-N
MW371.87 g/mol
LogP3.30
Rot. Bonds1

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

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (PubChem CID 162668040) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
PubChem CID162668040
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1
InChIInChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m0/s1
InChIKeyOLMWBKRZIIJUSJ-AWEZNQCLSA-N
XLogP3.30
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 1841807
n-(2-Chlorophenyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 752316
N-(4-chlorophenyl)-N'-{6-[4-(trifluoromethyl)piperidino]-3-pyridyl}urea
CID 2746266
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
2-N-(4-chlorophenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 666078
6-Chloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydro-2,3-quinoxalinedione
CID 1471936
3,6-dichloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2(1H)-quinoxalinone
CID 1471937
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
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dichlorophenyl)pyridin-2-amine
CID 145949810

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (CID 162668040) is (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is C[C@H]1CN(C(=O)N2CCNc3cc(Cl)ccc32)CCN1c1ccccn1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The InChIKey is OLMWBKRZIIJUSJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-14-13-23(10-11-24(14)18-4-2-3-7-22-18)19(26)25-9-8-21-16-12-15(20)5-6-17(16)25/h2-7,12,14,21H,8-11,13H2,1H3/t14-/m0/s1.
What are the key properties of (6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone has a molecular weight of 371.87 g/mol, XLogP of 3.30, 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)-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 162668040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).