4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine

C20H18ClFN2O — CID 86884183

IUPAC4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2CN(Cc3c(Cl)ccc4cccnc34)CCO2)c1
InChIInChI=1S/C20H18ClFN2O/c21-18-7-6-14-4-2-8-23-20(14)17(18)12-24-9-10-25-19(13-24)15-3-1-5-16(22)11-15/h1-8,11,19H,9-10,12-13H2
InChIKeyKPTRFKZNCRCHRM-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.60
Rot. Bonds3

About 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine

4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine (PubChem CID 86884183) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
PubChem CID86884183
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine
SMILESFc1cccc(C2CN(Cc3c(Cl)ccc4cccnc34)CCO2)c1
InChIInChI=1S/C20H18ClFN2O/c21-18-7-6-14-4-2-8-23-20(14)17(18)12-24-9-10-25-19(13-24)15-3-1-5-16(22)11-15/h1-8,11,19H,9-10,12-13H2
InChIKeyKPTRFKZNCRCHRM-UHFFFAOYSA-N
XLogP4.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278653
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
CID 56868827
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
4-[(3-fluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 110270812
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
5-[[2-(3-fluorophenyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 138003841
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
4-[(3,5-difluorophenyl)methyl]-2-pyridin-2-ylmorpholine
CID 127245674
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
1-(4-fluorophenyl)-2-[2-(3-fluorophenyl)morpholin-4-yl]ethanol
CID 110928538

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine?
The IUPAC name of 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine (CID 86884183) is 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine.
What is the SMILES notation for 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine?
The canonical SMILES for 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine is Fc1cccc(C2CN(Cc3c(Cl)ccc4cccnc34)CCO2)c1.
What is the InChIKey of 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine?
The InChIKey is KPTRFKZNCRCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-18-7-6-14-4-2-8-23-20(14)17(18)12-24-9-10-25-19(13-24)15-3-1-5-16(22)11-15/h1-8,11,19H,9-10,12-13H2.
What are the key properties of 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine?
4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine has a molecular weight of 356.83 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-8-yl)methyl]-2-(3-fluorophenyl)morpholine is sourced from PubChem (CID 86884183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).