2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol

C22H23N5O3 — CID 54591049

IUPAC2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol
SMILESCOc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C22H23N5O3/c1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-5,8-14,28H,6-7H2,1-3H3
InChIKeyOOWSKBMTGLHFAR-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.18
Rot. Bonds7

About 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol (PubChem CID 54591049) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol
PubChem CID54591049
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol
SMILESCOc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C22H23N5O3/c1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-5,8-14,28H,6-7H2,1-3H3
InChIKeyOOWSKBMTGLHFAR-UHFFFAOYSA-N
XLogP3.18
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Erdafitinib
CID 67462786
Hdac-IN-50
CID 166642476
5-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxypentanamide
CID 168271746
3-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxypropanamide
CID 168274372
6-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyhexanamide
CID 168278946
4-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxybutanamide
CID 168281471
9-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxynonanamide
CID 168289118
N'-(3,5-dimethoxyphenyl)-N'-[2-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 153991507
8-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyoctanamide
CID 168292799
n1-(3,5-Dimethoxyphenyl)-n1-(3-(1-methyl-1h-pyrazol-4-yl)quinoxalin-6-yl)ethane-1,2-diamine
CID 67461665
N-(3,5-Dimethoxyphenyl)-3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-amine
CID 68208633
3-((2-(isopropylamino)ethyl)(3-(1-methyl-1H-pyrazol-4-yl)quinoxalin-6-yl)amino)-5 methoxyphenol
CID 68208904

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol?
The IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol (CID 54591049) is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol.
What is the SMILES notation for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol?
The canonical SMILES for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol is COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol?
The InChIKey is OOWSKBMTGLHFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-5,8-14,28H,6-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol?
2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol has a molecular weight of 405.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol is sourced from PubChem (CID 54591049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).