N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine

C26H31N5O2 — CID 122644066

IUPACN-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
SMILESCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC(C)C)c3)nc2c1
InChIInChI=1S/C26H31N5O2/c1-6-9-31(21-10-22(32-4)13-23(11-21)33-5)20-7-8-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)16-18(2)3/h7-8,10-15,17-18H,6,9,16H2,1-5H3
InChIKeyGXFVBACYVVCHIV-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.71
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine (PubChem CID 122644066) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
PubChem CID122644066
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
SMILESCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC(C)C)c3)nc2c1
InChIInChI=1S/C26H31N5O2/c1-6-9-31(21-10-22(32-4)13-23(11-21)33-5)20-7-8-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)16-18(2)3/h7-8,10-15,17-18H,6,9,16H2,1-5H3
InChIKeyGXFVBACYVVCHIV-UHFFFAOYSA-N
XLogP5.71
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.71
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)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine (CID 122644066) is N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine is CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC(C)C)c3)nc2c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?
The InChIKey is GXFVBACYVVCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-6-9-31(21-10-22(32-4)13-23(11-21)33-5)20-7-8-24-25(12-20)29-26(15-27-24)19-14-28-30(17-19)16-18(2)3/h7-8,10-15,17-18H,6,9,16H2,1-5H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine has a molecular weight of 445.57 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine is sourced from PubChem (CID 122644066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).