4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine

C20H18ClN3O2 — CID 88977488

IUPAC4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine
SMILESO=Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C20H18ClN3O2/c21-16-6-3-15(4-7-16)20(24-10-12-26-13-11-24)17-8-5-14-2-1-9-22-18(14)19(17)23-25/h1-9,20H,10-13H2
InChIKeyOGUPRSDLFHYSLZ-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.71
Rot. Bonds4

About 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine

4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine (PubChem CID 88977488) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine
PubChem CID88977488
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine
SMILESO=Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C20H18ClN3O2/c21-16-6-3-15(4-7-16)20(24-10-12-26-13-11-24)17-8-5-14-2-1-9-22-18(14)19(17)23-25/h1-9,20H,10-13H2
InChIKeyOGUPRSDLFHYSLZ-UHFFFAOYSA-N
XLogP4.71
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine (CID 88977488) is 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine is O=Nc1c(C(c2ccc(Cl)cc2)N2CCOCC2)ccc2cccnc12.
What is the InChIKey of 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine?
The InChIKey is OGUPRSDLFHYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-6-3-15(4-7-16)20(24-10-12-26-13-11-24)17-8-5-14-2-1-9-22-18(14)19(17)23-25/h1-9,20H,10-13H2.
What are the key properties of 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine?
4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine has a molecular weight of 367.84 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(8-nitrosoquinolin-7-yl)methyl]morpholine is sourced from PubChem (CID 88977488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).