[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone

C24H27N3O2 — CID 97347863

IUPAC[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-15-29-23(18-10-6-5-7-11-18)17(2)27(16)24(28)20-14-22(26(3)4)25-21-13-9-8-12-19(20)21/h5-14,16-17,23H,15H2,1-4H3/t16-,17+,23+/m1/s1
InChIKeyNCUXSCXTSMXPAR-DGGJZMOXSA-N
MW389.50 g/mol
LogP4.29
Rot. Bonds3

About [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone

[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone (PubChem CID 97347863) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone
PubChem CID97347863
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-15-29-23(18-10-6-5-7-11-18)17(2)27(16)24(28)20-14-22(26(3)4)25-21-13-9-8-12-19(20)21/h5-14,16-17,23H,15H2,1-4H3/t16-,17+,23+/m1/s1
InChIKeyNCUXSCXTSMXPAR-DGGJZMOXSA-N
XLogP4.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide
CID 122133427
(3S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112103
[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 100847694
7-[2-(dimethylamino)quinoline-4-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154842205
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide
CID 128984082
(5-cyclopropyl-2-phenyl-1,3-oxazol-4-yl)-(3,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 86934387
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 92760503
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 1220326

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone (CID 97347863) is [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone is C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(N(C)C)nc2ccccc12.
What is the InChIKey of [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone?
The InChIKey is NCUXSCXTSMXPAR-DGGJZMOXSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-15-29-23(18-10-6-5-7-11-18)17(2)27(16)24(28)20-14-22(26(3)4)25-21-13-9-8-12-19(20)21/h5-14,16-17,23H,15H2,1-4H3/t16-,17+,23+/m1/s1.
What are the key properties of [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone?
[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 97347863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).