1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone

C21H24N4O2 — CID 129166294

IUPAC1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOC[C@@H]3C)cc2n1
InChIInChI=1S/C21H24N4O2/c1-14-13-27-7-6-25(14)11-16-4-5-18-19(17-10-22-24(3)12-17)9-20(15(2)26)23-21(18)8-16/h4-5,8-10,12,14H,6-7,11,13H2,1-3H3/t14-/m0/s1
InChIKeyZOJKOCZYMPSEFZ-AWEZNQCLSA-N
MW364.45 g/mol
LogP3.06
Rot. Bonds4

About 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone

1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone (PubChem CID 129166294) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
PubChem CID129166294
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOC[C@@H]3C)cc2n1
InChIInChI=1S/C21H24N4O2/c1-14-13-27-7-6-25(14)11-16-4-5-18-19(17-10-22-24(3)12-17)9-20(15(2)26)23-21(18)8-16/h4-5,8-10,12,14H,6-7,11,13H2,1-3H3/t14-/m0/s1
InChIKeyZOJKOCZYMPSEFZ-AWEZNQCLSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[(2-cyclopropylthiomorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 129166278
1-[7-(5-azaspiro[2.5]octan-5-ylmethyl)-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone
CID 129166352
7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[(3R)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1H-pyrazol-4-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 162252551
7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[[3-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S,6S)-2-methyl-6-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
CID 158805480
1-[4-(4-fluorophenyl)-7-[[(2S)-2-methylmorpholin-4-yl]methyl]quinolin-2-yl]ethanone
CID 129166317
2-[(3S)-3-methylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138591082
1-[(3R)-3-methylmorpholin-4-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 147321266
1-[(3S)-3-methylmorpholin-4-yl]-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 160614109
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
7-[[2-(difluoromethyl)-3-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 123138405
1-[7-[[4-ethyl-3-(trifluoromethyl)piperazin-1-yl]methyl]-4-(4-fluorophenyl)quinolin-2-yl]ethanone
CID 129166345

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The IUPAC name of 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone (CID 129166294) is 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone.
What is the SMILES notation for 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The canonical SMILES for 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(CN3CCOC[C@@H]3C)cc2n1.
What is the InChIKey of 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
The InChIKey is ZOJKOCZYMPSEFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-13-27-7-6-25(14)11-16-4-5-18-19(17-10-22-24(3)12-17)9-20(15(2)26)23-21(18)8-16/h4-5,8-10,12,14H,6-7,11,13H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone?
1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone is sourced from PubChem (CID 129166294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).