(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

C28H35N3O3 — CID 89483313

IUPAC(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cc(CN2CCO[C@@H](C(=O)N(Cc3cccc4cccnc34)CC(C)C)C2)ccc1C
InChIInChI=1S/C28H35N3O3/c1-20(2)16-31(18-24-8-5-7-23-9-6-12-29-27(23)24)28(32)26-19-30(13-14-34-26)17-22-11-10-21(3)25(15-22)33-4/h5-12,15,20,26H,13-14,16-19H2,1-4H3/t26-/m1/s1
InChIKeyWEEJJRPZWXQDCH-AREMUKBSSA-N
MW461.61 g/mol
LogP4.44
Rot. Bonds8

About (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (PubChem CID 89483313) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
PubChem CID89483313
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cc(CN2CCO[C@@H](C(=O)N(Cc3cccc4cccnc34)CC(C)C)C2)ccc1C
InChIInChI=1S/C28H35N3O3/c1-20(2)16-31(18-24-8-5-7-23-9-6-12-29-27(23)24)28(32)26-19-30(13-14-34-26)17-22-11-10-21(3)25(15-22)33-4/h5-12,15,20,26H,13-14,16-19H2,1-4H3/t26-/m1/s1
InChIKeyWEEJJRPZWXQDCH-AREMUKBSSA-N
XLogP4.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483257
(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483165
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483206
(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755474
(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755477
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755327
N-[(5-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-4-[(2-methoxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide;hydrochloride
CID 68673896
4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432188
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653
4-[(4-chloro-2-fluoro-5-methoxyphenyl)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432258
4-(1H-indol-7-ylmethyl)-N-[(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 91377544

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (CID 89483313) is (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is COc1cc(CN2CCO[C@@H](C(=O)N(Cc3cccc4cccnc34)CC(C)C)C2)ccc1C.
What is the InChIKey of (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The InChIKey is WEEJJRPZWXQDCH-AREMUKBSSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-20(2)16-31(18-24-8-5-7-23-9-6-12-29-27(23)24)28(32)26-19-30(13-14-34-26)17-22-11-10-21(3)25(15-22)33-4/h5-12,15,20,26H,13-14,16-19H2,1-4H3/t26-/m1/s1.
What are the key properties of (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 89483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).