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

C22H23N5O2 — CID 89447081

IUPACN-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-5-27(17-8-18(28-3)11-19(9-17)29-4)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-26(2)14-15/h6-14H,5H2,1-4H3
InChIKeyYPAFPGOEBJGULD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.21
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 89447081) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID89447081
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C22H23N5O2/c1-5-27(17-8-18(28-3)11-19(9-17)29-4)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-26(2)14-15/h6-14H,5H2,1-4H3
InChIKeyYPAFPGOEBJGULD-UHFFFAOYSA-N
XLogP4.21
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 89447081) is N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is YPAFPGOEBJGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-5-27(17-8-18(28-3)11-19(9-17)29-4)16-6-7-20-21(10-16)25-22(13-23-20)15-12-24-26(2)14-15/h6-14H,5H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 389.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 89447081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).