(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide

C22H27N3O2 — CID 94722788

IUPAC(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESCN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21
InChIInChI=1S/C22H27N3O2/c1-24-11-5-8-19-14-17(9-10-20(19)24)15-23-22(26)25-12-13-27-21(16-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-16H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyFVQQEIGNDYIKCA-OAQYLSRUSA-N
MW365.48 g/mol
LogP3.35
Rot. Bonds3

About (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide

(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 94722788) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide
PubChem CID94722788
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide
SMILESCN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21
InChIInChI=1S/C22H27N3O2/c1-24-11-5-8-19-14-17(9-10-20(19)24)15-23-22(26)25-12-13-27-21(16-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-16H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyFVQQEIGNDYIKCA-OAQYLSRUSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168266
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
(2R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 97067531
N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301181
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
CID 95934151
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
(2R)-2-(3-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]morpholine-4-carboxamide
CID 95178874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide (CID 94722788) is (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide is CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21.
What is the InChIKey of (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is FVQQEIGNDYIKCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-11-5-8-19-14-17(9-10-20(19)24)15-23-22(26)25-12-13-27-21(16-25)18-6-3-2-4-7-18/h2-4,6-7,9-10,14,21H,5,8,11-13,15-16H2,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide?
(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 94722788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).