3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone

C22H22N4O3 — CID 109290596

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
SMILESCOc1ccc(Nc2cnc(C(=O)N3CCCc4ccccc43)cn2)c(OC)c1
InChIInChI=1S/C22H22N4O3/c1-28-16-9-10-17(20(12-16)29-2)25-21-14-23-18(13-24-21)22(27)26-11-5-7-15-6-3-4-8-19(15)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,24,25)
InChIKeyCEVKYHSIQUKBOP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.83
Rot. Bonds5

About 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone (PubChem CID 109290596) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
PubChem CID109290596
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
SMILESCOc1ccc(Nc2cnc(C(=O)N3CCCc4ccccc43)cn2)c(OC)c1
InChIInChI=1S/C22H22N4O3/c1-28-16-9-10-17(20(12-16)29-2)25-21-14-23-18(13-24-21)22(27)26-11-5-7-15-6-3-4-8-19(15)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,24,25)
InChIKeyCEVKYHSIQUKBOP-UHFFFAOYSA-N
XLogP3.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
[5-(2,5-dimethoxyanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109293910
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284671
2,3-dihydroindol-1-yl-[5-(2,5-dimethoxyanilino)-2-pyridinyl]methanone
CID 109197766
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109290407
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
CID 109158459
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone (CID 109290596) is 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone is COc1ccc(Nc2cnc(C(=O)N3CCCc4ccccc43)cn2)c(OC)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone?
The InChIKey is CEVKYHSIQUKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-16-9-10-17(20(12-16)29-2)25-21-14-23-18(13-24-21)22(27)26-11-5-7-15-6-3-4-8-19(15)26/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3,(H,24,25).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone is sourced from PubChem (CID 109290596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).