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

C22H23N5O2 — CID 123551705

IUPACN-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCCn1cc(-c2cnc3ccc(Nc4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C22H23N5O2/c1-4-7-27-14-15(12-24-27)22-13-23-20-6-5-16(10-21(20)26-22)25-17-8-18(28-2)11-19(9-17)29-3/h5-6,8-14,25H,4,7H2,1-3H3
InChIKeyWBWYZKQRZRNYHD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.66
Rot. Bonds7

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

N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 123551705) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID123551705
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
SMILESCCCn1cc(-c2cnc3ccc(Nc4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C22H23N5O2/c1-4-7-27-14-15(12-24-27)22-13-23-20-6-5-16(10-21(20)26-22)25-17-8-18(28-2)11-19(9-17)29-3/h5-6,8-14,25H,4,7H2,1-3H3
InChIKeyWBWYZKQRZRNYHD-UHFFFAOYSA-N
XLogP4.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine (CID 123551705) is N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine is CCCn1cc(-c2cnc3ccc(Nc4cc(OC)cc(OC)c4)cc3n2)cn1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is WBWYZKQRZRNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-7-27-14-15(12-24-27)22-13-23-20-6-5-16(10-21(20)26-22)25-17-8-18(28-2)11-19(9-17)29-3/h5-6,8-14,25H,4,7H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 389.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 123551705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).