(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide

C17H21N3O2 — CID 121346616

IUPAC(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
SMILESCC(C)(NC(=O)[C@H]1CNCCO1)c1ccnc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-17(2,20-16(21)15-11-18-9-10-22-15)13-7-8-19-14-6-4-3-5-12(13)14/h3-8,15,18H,9-11H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyADXUGIKCQFBHLO-OAHLLOKOSA-N
MW299.37 g/mol
LogP1.57
Rot. Bonds3

About (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide

(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide (PubChem CID 121346616) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
PubChem CID121346616
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
SMILESCC(C)(NC(=O)[C@H]1CNCCO1)c1ccnc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-17(2,20-16(21)15-11-18-9-10-22-15)13-7-8-19-14-6-4-3-5-12(13)14/h3-8,15,18H,9-11H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyADXUGIKCQFBHLO-OAHLLOKOSA-N
XLogP1.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide (CID 121346616) is (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide is CC(C)(NC(=O)[C@H]1CNCCO1)c1ccnc2ccccc12.
What is the InChIKey of (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide?
The InChIKey is ADXUGIKCQFBHLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,20-16(21)15-11-18-9-10-22-15)13-7-8-19-14-6-4-3-5-12(13)14/h3-8,15,18H,9-11H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide?
(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 121346616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).