6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

C13H14Cl2N4O — CID 11301441

IUPAC6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1
InChIInChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20)
InChIKeyMFJVHWQDKIEBCM-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.98
Rot. Bonds1

About 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (PubChem CID 11301441) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
PubChem CID11301441
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1
InChIInChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20)
InChIKeyMFJVHWQDKIEBCM-UHFFFAOYSA-N
XLogP1.98
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8,9-dichloro-2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a)quinoxalin-5(6H)-one
CID 3906894
(R)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 6604916
(S)-8,9-Dichloro-2,3,4,4a-Tetrahydro-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One
CID 12986493
6-chloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
CID 44450493
6-chloro-3-(4-methyl-1,4-diazepan-1-yl)-1H-quinoxalin-2-one
CID 24853666
N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 5310159
6-chloro-3-(pyrrolidin-1-ylmethylamino)-1H-quinoxalin-2-one
CID 44450401
WAY 161503 hydrochloride
CID 21976692
N-(3,4-dichlorophenyl)-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 71539111
Isoalloxazine, 7,8-dichloro-10-(2-diethylamino)ethyl-, hydrochloride
CID 38902
Isoalloxazine, 7,8-dichloro-10-(3-(dimethylamino)propyl)-, hydrochloride
CID 57325
Isoalloxazine, 7,8-dichloro-10-(4-(diethylamino)-1-methylbutyl)-, hydrochloride
CID 58673

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (CID 11301441) is 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is CN1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]c2=O)CC1.
What is the InChIKey of 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The InChIKey is MFJVHWQDKIEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)12-13(20)17-11-7-9(15)8(14)6-10(11)16-12/h6-7H,2-5H2,1H3,(H,17,20).
What are the key properties of 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one has a molecular weight of 313.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 11301441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).