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

C26H29F2N3O2 — CID 16755478

IUPAC(2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C26H29F2N3O2/c1-18(2)14-31(15-19-5-8-24-20(12-19)4-3-9-29-24)26(32)25-17-30(10-11-33-25)16-21-6-7-22(27)13-23(21)28/h3-9,12-13,18,25H,10-11,14-17H2,1-2H3/t25-/m1/s1
InChIKeyVSCAFPNNNQRWEY-RUZDIDTESA-N
MW453.53 g/mol
LogP4.40
Rot. Bonds7

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

(2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (PubChem CID 16755478) has the molecular formula C26H29F2N3O2 and a molecular weight of 453.53 g/mol. Its IUPAC name is (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
PubChem CID16755478
Molecular FormulaC26H29F2N3O2
Molecular Weight453.53 g/mol
Exact Mass453.22
IUPAC Name(2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccc(F)cc2F)CCO1
InChIInChI=1S/C26H29F2N3O2/c1-18(2)14-31(15-19-5-8-24-20(12-19)4-3-9-29-24)26(32)25-17-30(10-11-33-25)16-21-6-7-22(27)13-23(21)28/h3-9,12-13,18,25H,10-11,14-17H2,1-2H3/t25-/m1/s1
InChIKeyVSCAFPNNNQRWEY-RUZDIDTESA-N
XLogP4.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (CID 16755478) is (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is CC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccc(F)cc2F)CCO1.
What is the InChIKey of (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The InChIKey is VSCAFPNNNQRWEY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29F2N3O2/c1-18(2)14-31(15-19-5-8-24-20(12-19)4-3-9-29-24)26(32)25-17-30(10-11-33-25)16-21-6-7-22(27)13-23(21)28/h3-9,12-13,18,25H,10-11,14-17H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,4-difluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 16755478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).