[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

C22H23N3O2 — CID 95772487

IUPAC[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCNc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(14-20(27-15)16-8-4-3-5-9-16)22(26)18-12-21(23-2)24-19-11-7-6-10-17(18)19/h3-12,15,20H,13-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
InChIKeyMNBAEJRUSIFJHD-YWZLYKJASA-N
MW361.45 g/mol
LogP3.88
Rot. Bonds3

About [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone

[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 95772487) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID95772487
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCNc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-15-13-25(14-20(27-15)16-8-4-3-5-9-16)22(26)18-12-21(23-2)24-19-11-7-6-10-17(18)19/h3-12,15,20H,13-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1
InChIKeyMNBAEJRUSIFJHD-YWZLYKJASA-N
XLogP3.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 95772487) is [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is CNc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c2ccccc2n1.
What is the InChIKey of [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is MNBAEJRUSIFJHD-YWZLYKJASA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-13-25(14-20(27-15)16-8-4-3-5-9-16)22(26)18-12-21(23-2)24-19-11-7-6-10-17(18)19/h3-12,15,20H,13-14H2,1-2H3,(H,23,24)/t15-,20-/m0/s1.
What are the key properties of [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone?
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 95772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).