4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine

C21H20ClFN2O2 — CID 143492315

IUPAC4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine
SMILESCOc1ccc(Cc2cnc3ccc(F)cc3c2N2CCOCC2)cc1Cl
InChIInChI=1S/C21H20ClFN2O2/c1-26-20-5-2-14(11-18(20)22)10-15-13-24-19-4-3-16(23)12-17(19)21(15)25-6-8-27-9-7-25/h2-5,11-13H,6-10H2,1H3
InChIKeyNXTYSAZBVQEVKQ-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.46
Rot. Bonds4

About 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine

4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine (PubChem CID 143492315) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine
PubChem CID143492315
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine
SMILESCOc1ccc(Cc2cnc3ccc(F)cc3c2N2CCOCC2)cc1Cl
InChIInChI=1S/C21H20ClFN2O2/c1-26-20-5-2-14(11-18(20)22)10-15-13-24-19-4-3-16(23)12-17(19)21(15)25-6-8-27-9-7-25/h2-5,11-13H,6-10H2,1H3
InChIKeyNXTYSAZBVQEVKQ-UHFFFAOYSA-N
XLogP4.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine?
The IUPAC name of 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine (CID 143492315) is 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine?
The canonical SMILES for 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine is COc1ccc(Cc2cnc3ccc(F)cc3c2N2CCOCC2)cc1Cl.
What is the InChIKey of 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine?
The InChIKey is NXTYSAZBVQEVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-26-20-5-2-14(11-18(20)22)10-15-13-24-19-4-3-16(23)12-17(19)21(15)25-6-8-27-9-7-25/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine?
4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine has a molecular weight of 386.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-chloro-4-methoxyphenyl)methyl]-6-fluoroquinolin-4-yl]morpholine is sourced from PubChem (CID 143492315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).