(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide

C28H35N3O4 — CID 16755474

IUPAC(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc(OC)c(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)c1
InChIInChI=1S/C28H35N3O4/c1-20(2)16-31(17-21-7-9-25-22(14-21)6-5-11-29-25)28(32)27-19-30(12-13-35-27)18-23-15-24(33-3)8-10-26(23)34-4/h5-11,14-15,20,27H,12-13,16-19H2,1-4H3/t27-/m1/s1
InChIKeyBQEHORXTOPIUAC-HHHXNRCGSA-N
MW477.61 g/mol
LogP4.14
Rot. Bonds9

About (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide

(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (PubChem CID 16755474) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
PubChem CID16755474
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc(OC)c(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)c1
InChIInChI=1S/C28H35N3O4/c1-20(2)16-31(17-21-7-9-25-22(14-21)6-5-11-29-25)28(32)27-19-30(12-13-35-27)18-23-15-24(33-3)8-10-26(23)34-4/h5-11,14-15,20,27H,12-13,16-19H2,1-4H3/t27-/m1/s1
InChIKeyBQEHORXTOPIUAC-HHHXNRCGSA-N
XLogP4.14
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (CID 16755474) is (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is COc1ccc(OC)c(CN2CCO[C@@H](C(=O)N(Cc3ccc4ncccc4c3)CC(C)C)C2)c1.
What is the InChIKey of (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The InChIKey is BQEHORXTOPIUAC-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-20(2)16-31(17-21-7-9-25-22(14-21)6-5-11-29-25)28(32)27-19-30(12-13-35-27)18-23-15-24(33-3)8-10-26(23)34-4/h5-11,14-15,20,27H,12-13,16-19H2,1-4H3/t27-/m1/s1.
What are the key properties of (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 16755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).