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

C26H30FN3O2 — CID 16755477

IUPAC(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C26H30FN3O2/c1-19(2)15-30(16-20-9-10-24-21(14-20)7-5-11-28-24)26(31)25-18-29(12-13-32-25)17-22-6-3-4-8-23(22)27/h3-11,14,19,25H,12-13,15-18H2,1-2H3/t25-/m1/s1
InChIKeySAGQZVSZHHGACH-RUZDIDTESA-N
MW435.54 g/mol
LogP4.26
Rot. Bonds7

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

(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (PubChem CID 16755477) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
PubChem CID16755477
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
SMILESCC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccccc2F)CCO1
InChIInChI=1S/C26H30FN3O2/c1-19(2)15-30(16-20-9-10-24-21(14-20)7-5-11-28-24)26(31)25-18-29(12-13-32-25)17-22-6-3-4-8-23(22)27/h3-11,14,19,25H,12-13,15-18H2,1-2H3/t25-/m1/s1
InChIKeySAGQZVSZHHGACH-RUZDIDTESA-N
XLogP4.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755474
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide
CID 16755327
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-[(2-hydroxyphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432266
(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483165
(2R)-4-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483257
(2R)-4-[(3-methoxy-4-methylphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483313
(2R)-N-(2-methylpropyl)-4-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 89483206
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(1H-indol-3-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 57432163
4-benzyl-N-(3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
CID 58080482
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(2-methylpropyl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 57432179
4-benzyl-N-[(3-methyl-4-pentylphenyl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
CID 71190653

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide (CID 16755477) is (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is CC(C)CN(Cc1ccc2ncccc2c1)C(=O)[C@H]1CN(Cc2ccccc2F)CCO1.
What is the InChIKey of (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
The InChIKey is SAGQZVSZHHGACH-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-19(2)15-30(16-20-9-10-24-21(14-20)7-5-11-28-24)26(31)25-18-29(12-13-32-25)17-22-6-3-4-8-23(22)27/h3-11,14,19,25H,12-13,15-18H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-6-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 16755477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).