N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine

C24H29N5O4S — CID 90038996

IUPACN-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)ccc4nc3NC3CC3)CC2)c(OC)c1
InChIInChI=1S/C24H29N5O4S/c1-16-4-8-19-20(14-16)27-24(23(26-19)25-17-5-6-17)28-10-12-29(13-11-28)34(30,31)22-9-7-18(32-2)15-21(22)33-3/h4,7-9,14-15,17H,5-6,10-13H2,1-3H3,(H,25,26)
InChIKeyZGLIWWSKBHCULU-UHFFFAOYSA-N
MW483.59 g/mol
LogP3.04
Rot. Bonds7

About N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine

N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine (PubChem CID 90038996) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine
PubChem CID90038996
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)ccc4nc3NC3CC3)CC2)c(OC)c1
InChIInChI=1S/C24H29N5O4S/c1-16-4-8-19-20(14-16)27-24(23(26-19)25-17-5-6-17)28-10-12-29(13-11-28)34(30,31)22-9-7-18(32-2)15-21(22)33-3/h4,7-9,14-15,17H,5-6,10-13H2,1-3H3,(H,25,26)
InChIKeyZGLIWWSKBHCULU-UHFFFAOYSA-N
XLogP3.04
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-3-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]quinoxalin-2-amine
CID 118308643
3-[4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 118308516
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-cyclopropyl-4-(2,4-dimethoxyphenyl)sulfonylpiperazine
CID 110708580
2-(cyclopropylamino)-3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]quinoxaline-6-carbonitrile
CID 90038131
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605335
3-[4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(cyclopropylamino)quinoxaline-6-carbonitrile
CID 90037615
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817974
1-(2,4-dimethoxyphenyl)sulfonyl-N,N-dimethylpiperidine-4-carboxamide
CID 110350848
3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid
CID 2052084

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine?
The IUPAC name of N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine (CID 90038996) is N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine.
What is the SMILES notation for N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine?
The canonical SMILES for N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine is COc1ccc(S(=O)(=O)N2CCN(c3nc4cc(C)ccc4nc3NC3CC3)CC2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine?
The InChIKey is ZGLIWWSKBHCULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-16-4-8-19-20(14-16)27-24(23(26-19)25-17-5-6-17)28-10-12-29(13-11-28)34(30,31)22-9-7-18(32-2)15-21(22)33-3/h4,7-9,14-15,17H,5-6,10-13H2,1-3H3,(H,25,26).
What are the key properties of N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine?
N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine has a molecular weight of 483.59 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoxalin-2-amine is sourced from PubChem (CID 90038996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).