2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

C21H24N4O2 — CID 155949674

IUPAC2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H24N4O2/c1-14-21(15(2)24(3)23-14)19-13-27-9-8-25(19)20(26)11-16-10-17-6-4-5-7-18(17)22-12-16/h4-7,10,12,19H,8-9,11,13H2,1-3H3
InChIKeyHRXNRHUJGCJHOV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.73
Rot. Bonds3

About 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone

2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 155949674) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID155949674
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H24N4O2/c1-14-21(15(2)24(3)23-14)19-13-27-9-8-25(19)20(26)11-16-10-17-6-4-5-7-18(17)22-12-16/h4-7,10,12,19H,8-9,11,13H2,1-3H3
InChIKeyHRXNRHUJGCJHOV-UHFFFAOYSA-N
XLogP2.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 75399303
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
1H-indazol-7-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471350
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 120552577
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 120874002
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 97343050

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 155949674) is 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is Cc1nn(C)c(C)c1C1COCCN1C(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is HRXNRHUJGCJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-21(15(2)24(3)23-14)19-13-27-9-8-25(19)20(26)11-16-10-17-6-4-5-7-18(17)22-12-16/h4-7,10,12,19H,8-9,11,13H2,1-3H3.
What are the key properties of 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 155949674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).