1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone

C22H22N6O3 — CID 160782884

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone
SMILESCOCCn1cc(C(=O)Cc2cnc3c(-c4ccc(C)nn4)ccc(OC)c3n2)cn1
InChIInChI=1S/C22H22N6O3/c1-14-4-6-18(27-26-14)17-5-7-20(31-3)22-21(17)23-12-16(25-22)10-19(29)15-11-24-28(13-15)8-9-30-2/h4-7,11-13H,8-10H2,1-3H3
InChIKeySAUUUIXSPNKQEO-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.67
Rot. Bonds8

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone

1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone (PubChem CID 160782884) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone
PubChem CID160782884
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone
SMILESCOCCn1cc(C(=O)Cc2cnc3c(-c4ccc(C)nn4)ccc(OC)c3n2)cn1
InChIInChI=1S/C22H22N6O3/c1-14-4-6-18(27-26-14)17-5-7-20(31-3)22-21(17)23-12-16(25-22)10-19(29)15-11-24-28(13-15)8-9-30-2/h4-7,11-13H,8-10H2,1-3H3
InChIKeySAUUUIXSPNKQEO-UHFFFAOYSA-N
XLogP2.67
TPSA104.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 158013193
phenyl 1-(2-methoxyethyl)pyrazole-4-carboxylate
CID 58592595
1-[(3,4-dimethoxyphenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 126799547
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
CID 170141319
1-[1-[2-(4-bromophenoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 62728210
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
CID 68570482
3-methoxy-4-[1-(2-methoxyethyl)pyrazol-4-yl]benzonitrile
CID 172914750
1,2,3,4-tetrachloro-6,9-bis[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenazine
CID 71501852
1-(2-methoxyethyl)-N-[1-(2-methyl-1H-indol-5-yl)ethyl]pyrazole-4-carboxamide
CID 77492731
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 87044584

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone (CID 160782884) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone is COCCn1cc(C(=O)Cc2cnc3c(-c4ccc(C)nn4)ccc(OC)c3n2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone?
The InChIKey is SAUUUIXSPNKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-14-4-6-18(27-26-14)17-5-7-20(31-3)22-21(17)23-12-16(25-22)10-19(29)15-11-24-28(13-15)8-9-30-2/h4-7,11-13H,8-10H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone has a molecular weight of 418.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[8-methoxy-5-(6-methylpyridazin-3-yl)quinoxalin-2-yl]ethanone is sourced from PubChem (CID 160782884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).