(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

C27H32FN3O3 — CID 89483165

IUPAC(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cc(F)ccc1CN1CCO[C@@H](C(=O)N(Cc2cccc3cccnc23)CC(C)C)C1
InChIInChI=1S/C27H32FN3O3/c1-19(2)15-31(17-22-7-4-6-20-8-5-11-29-26(20)22)27(32)25-18-30(12-13-34-25)16-21-9-10-23(28)14-24(21)33-3/h4-11,14,19,25H,12-13,15-18H2,1-3H3/t25-/m1/s1
InChIKeyXNYWZBSOXBWGBS-RUZDIDTESA-N
MW465.57 g/mol
LogP4.27
Rot. Bonds8

About (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide

(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (PubChem CID 89483165) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
PubChem CID89483165
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cc(F)ccc1CN1CCO[C@@H](C(=O)N(Cc2cccc3cccnc23)CC(C)C)C1
InChIInChI=1S/C27H32FN3O3/c1-19(2)15-31(17-22-7-4-6-20-8-5-11-29-26(20)22)27(32)25-18-30(12-13-34-25)16-21-9-10-23(28)14-24(21)33-3/h4-11,14,19,25H,12-13,15-18H2,1-3H3/t25-/m1/s1
InChIKeyXNYWZBSOXBWGBS-RUZDIDTESA-N
XLogP4.27
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide (CID 89483165) is (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is COc1cc(F)ccc1CN1CCO[C@@H](C(=O)N(Cc2cccc3cccnc23)CC(C)C)C1.
What is the InChIKey of (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
The InChIKey is XNYWZBSOXBWGBS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-19(2)15-31(17-22-7-4-6-20-8-5-11-29-26(20)22)27(32)25-18-30(12-13-34-25)16-21-9-10-23(28)14-24(21)33-3/h4-11,14,19,25H,12-13,15-18H2,1-3H3/t25-/m1/s1.
What are the key properties of (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide?
(2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-fluoro-2-methoxyphenyl)methyl]-N-(2-methylpropyl)-N-(quinolin-8-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 89483165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).