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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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).