2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

C25H26N4O2 — CID 132771953

IUPAC2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
SMILESc1ccc(OCCc2cc(C3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-6-22(7-3-1)30-13-10-21-16-24(28-27-21)25-18-29(12-14-31-25)17-19-8-9-23-20(15-19)5-4-11-26-23/h1-9,11,15-16,25H,10,12-14,17-18H2,(H,27,28)
InChIKeyPDUDREDMCHMTPC-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.15
Rot. Bonds7

About 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine

2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine (PubChem CID 132771953) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
PubChem CID132771953
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
SMILESc1ccc(OCCc2cc(C3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)cc1
InChIInChI=1S/C25H26N4O2/c1-2-6-22(7-3-1)30-13-10-21-16-24(28-27-21)25-18-29(12-14-31-25)17-19-8-9-23-20(15-19)5-4-11-26-23/h1-9,11,15-16,25H,10,12-14,17-18H2,(H,27,28)
InChIKeyPDUDREDMCHMTPC-UHFFFAOYSA-N
XLogP4.15
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 127248576
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 127250719
(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980222
(2S)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(pyridin-3-ylmethyl)morpholine
CID 124980221
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-(quinolin-6-ylmethyl)morpholine
CID 125021519
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964103
(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-(quinolin-4-ylmethyl)morpholine
CID 124964102
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
CID 110117068
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The IUPAC name of 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine (CID 132771953) is 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine.
What is the SMILES notation for 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The canonical SMILES for 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine is c1ccc(OCCc2cc(C3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)cc1.
What is the InChIKey of 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
The InChIKey is PDUDREDMCHMTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-6-22(7-3-1)30-13-10-21-16-24(28-27-21)25-18-29(12-14-31-25)17-19-8-9-23-20(15-19)5-4-11-26-23/h1-9,11,15-16,25H,10,12-14,17-18H2,(H,27,28).
What are the key properties of 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine?
2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine has a molecular weight of 414.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine is sourced from PubChem (CID 132771953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).