N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C24H27N5O2 — CID 122643973

IUPACN-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1OC
InChIInChI=1S/C24H27N5O2/c1-5-6-11-29(23-13-19(30-3)8-10-24(23)31-4)18-7-9-20-21(12-18)27-22(15-25-20)17-14-26-28(2)16-17/h7-10,12-16H,5-6,11H2,1-4H3
InChIKeyLQLDAODJDBXQAF-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.99
Rot. Bonds8

About N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 122643973) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID122643973
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1OC
InChIInChI=1S/C24H27N5O2/c1-5-6-11-29(23-13-19(30-3)8-10-24(23)31-4)18-7-9-20-21(12-18)27-22(15-25-20)17-14-26-28(2)16-17/h7-10,12-16H,5-6,11H2,1-4H3
InChIKeyLQLDAODJDBXQAF-UHFFFAOYSA-N
XLogP4.99
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(2-fluoro-3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
CID 126735620
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
CID 122644031
N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[7-(N-butyl-3-fluoro-5-methoxyanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;(2R)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-2-carboxylic acid;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methylpyrrolidin-1-yl)ethyl]quinoxalin-6-amine;sulfane
CID 159373729
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
N-(3,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644045
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
N-but-3-ynyl-N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 122644046
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
CID 88888571
CID 88888571
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 122643973) is N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is CCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1OC.
What is the InChIKey of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is LQLDAODJDBXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-5-6-11-29(23-13-19(30-3)8-10-24(23)31-4)18-7-9-20-21(12-18)27-22(15-25-20)17-14-26-28(2)16-17/h7-10,12-16H,5-6,11H2,1-4H3.
What are the key properties of N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 417.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 122643973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).