7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline

C27H30N4O3 — CID 122605246

IUPAC7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline
SMILESCOCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C27H30N4O3/c1-32-9-8-31-17-21(15-29-31)27-16-28-25-7-6-19(13-26(25)30-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3/h6-7,11-18,24H,4-5,8-10H2,1-3H3
InChIKeyHXTQRLCGFUGDAT-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.09
Rot. Bonds10

About 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline

7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline (PubChem CID 122605246) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline
PubChem CID122605246
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline
SMILESCOCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1
InChIInChI=1S/C27H30N4O3/c1-32-9-8-31-17-21(15-29-31)27-16-28-25-7-6-19(13-26(25)30-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3/h6-7,11-18,24H,4-5,8-10H2,1-3H3
InChIKeyHXTQRLCGFUGDAT-UHFFFAOYSA-N
XLogP5.09
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine
CID 158335245
3-(3,5-dimethoxyphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine;hydrochloride
CID 162324996
N'-[(R)-(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]methyl]-N-propan-2-ylethane-1,2-diamine;methane;hydrochloride
CID 158783297
1-(3,5-dimethoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propan-2-one
CID 123860730
N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
CID 123551705
(2R)-1-(N-[3-[1-(3-aminopropyl)pyrazol-4-yl]quinoxalin-6-yl]-3,5-dimethoxyanilino)-3-methoxypropan-2-ol
CID 89447571
2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 89447210
3-[1-(2-bromoethyl)pyrazol-4-yl]-N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)quinoxalin-6-amine;N-(3-bromo-5-methoxyphenyl)-N-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;3-[cyclopropylmethyl-[3-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;3-[cyclopropylmethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxybenzonitrile
CID 160887901
CID 88888571
CID 88888571
N-[3-(aminomethyl)-5-methoxyphenyl]-N-(cyclopropylmethyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 118014689
N'-(3,5-dimethoxyphenyl)-N'-[3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;hydrochloride
CID 134141677
N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
CID 122644066

Frequently Asked Questions

What is the IUPAC name of 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline (CID 122605246) is 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline is COCCn1cc(-c2cnc3ccc(C(CC4CC4)c4cc(OC)cc(OC)c4)cc3n2)cn1.
What is the InChIKey of 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline?
The InChIKey is HXTQRLCGFUGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-32-9-8-31-17-21(15-29-31)27-16-28-25-7-6-19(13-26(25)30-27)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3/h6-7,11-18,24H,4-5,8-10H2,1-3H3.
What are the key properties of 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline?
7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline has a molecular weight of 458.56 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 122605246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).