2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

C26H27FN4O2 — CID 127248576

IUPAC2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
SMILESCn1nc(C2CN(Cc3ccc4ncccc4c3)CCO2)cc1CCOc1cccc(F)c1
InChIInChI=1S/C26H27FN4O2/c1-30-22(9-12-32-23-6-2-5-21(27)15-23)16-25(29-30)26-18-31(11-13-33-26)17-19-7-8-24-20(14-19)4-3-10-28-24/h2-8,10,14-16,26H,9,11-13,17-18H2,1H3
InChIKeyVRIKHUINMFEBLW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.30
Rot. Bonds7

About 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine (PubChem CID 127248576) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
PubChem CID127248576
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
SMILESCn1nc(C2CN(Cc3ccc4ncccc4c3)CCO2)cc1CCOc1cccc(F)c1
InChIInChI=1S/C26H27FN4O2/c1-30-22(9-12-32-23-6-2-5-21(27)15-23)16-25(29-30)26-18-31(11-13-33-26)17-19-7-8-24-20(14-19)4-3-10-28-24/h2-8,10,14-16,26H,9,11-13,17-18H2,1H3
InChIKeyVRIKHUINMFEBLW-UHFFFAOYSA-N
XLogP4.30
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 132771953
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
(2R)-N,N-diethyl-2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-sulfonamide
CID 124983011
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 127248609
(2S)-2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-ethylpyrimidin-5-yl)methyl]morpholine
CID 124947170
(2R)-4-[(4-chloro-3-fluorophenyl)methyl]-2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124997779
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124953524
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The IUPAC name of 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine (CID 127248576) is 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine.
What is the SMILES notation for 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The canonical SMILES for 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine is Cn1nc(C2CN(Cc3ccc4ncccc4c3)CCO2)cc1CCOc1cccc(F)c1.
What is the InChIKey of 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The InChIKey is VRIKHUINMFEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-30-22(9-12-32-23-6-2-5-21(27)15-23)16-25(29-30)26-18-31(11-13-33-26)17-19-7-8-24-20(14-19)4-3-10-28-24/h2-8,10,14-16,26H,9,11-13,17-18H2,1H3.
What are the key properties of 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine has a molecular weight of 446.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine is sourced from PubChem (CID 127248576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).