N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride

C26H31ClN6O2 — CID 134144267

IUPACN-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride
SMILESCOc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
InChIInChI=1S/C26H30N6O2.ClH/c1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;/h6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);1H
InChIKeyGLACKZZDEYNOLO-UHFFFAOYSA-N
MW495.03 g/mol
LogP5.08
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride

N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride (PubChem CID 134144267) has the molecular formula C26H31ClN6O2 and a molecular weight of 495.03 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride
PubChem CID134144267
Molecular FormulaC26H31ClN6O2
Molecular Weight495.03 g/mol
Exact Mass494.22
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride
SMILESCOc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl
InChIInChI=1S/C26H30N6O2.ClH/c1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;/h6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);1H
InChIKeyGLACKZZDEYNOLO-UHFFFAOYSA-N
XLogP5.08
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride (CID 134144267) is N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride is COc1cc(OC)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.Cl.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride?
The InChIKey is GLACKZZDEYNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.ClH/c1-33-22-12-21(13-23(15-22)34-2)32(11-5-10-31-8-3-4-9-31)20-6-7-24-25(14-20)30-26(18-27-24)19-16-28-29-17-19;/h6-7,12-18H,3-5,8-11H2,1-2H3,(H,28,29);1H.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride?
N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride has a molecular weight of 495.03 g/mol, XLogP of 5.08, 9 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-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;hydrochloride is sourced from PubChem (CID 134144267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).