(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide

C16H17F2N3O3 — CID 129399292

IUPAC(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCO1
InChIInChI=1S/C16H17F2N3O3/c1-10-9-21(7-8-23-10)16(22)20-12-4-5-13(24-15(17)18)11-3-2-6-19-14(11)12/h2-6,10,15H,7-9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyVMTZGEVERZGSIS-SNVBAGLBSA-N
MW337.33 g/mol
LogP3.09
Rot. Bonds3

About (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide

(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide (PubChem CID 129399292) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
PubChem CID129399292
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCO1
InChIInChI=1S/C16H17F2N3O3/c1-10-9-21(7-8-23-10)16(22)20-12-4-5-13(24-15(17)18)11-3-2-6-19-14(11)12/h2-6,10,15H,7-9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyVMTZGEVERZGSIS-SNVBAGLBSA-N
XLogP3.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
CID 129399293
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 97282303
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395
(3aS,6aR)-2-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122077432
N-(2-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001
N-[8-(difluoromethoxy)quinolin-5-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55965595
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide (CID 129399292) is (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCO1.
What is the InChIKey of (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide?
The InChIKey is VMTZGEVERZGSIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-10-9-21(7-8-23-10)16(22)20-12-4-5-13(24-15(17)18)11-3-2-6-19-14(11)12/h2-6,10,15H,7-9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide?
(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 129399292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).