4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine

C27H23FN4O — CID 11464785

IUPAC4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c21
InChIInChI=1S/C27H23FN4O/c28-23-6-1-2-7-26(23)32-18-30-25-16-29-24-9-8-21(15-22(24)27(25)32)20-5-3-4-19(14-20)17-31-10-12-33-13-11-31/h1-9,14-16,18H,10-13,17H2
InChIKeyVBWLVSVCIPPERL-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.21
Rot. Bonds4

About 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine

4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine (PubChem CID 11464785) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine
PubChem CID11464785
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine
SMILESFc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c21
InChIInChI=1S/C27H23FN4O/c28-23-6-1-2-7-26(23)32-18-30-25-16-29-24-9-8-21(15-22(24)27(25)32)20-5-3-4-19(14-20)17-31-10-12-33-13-11-31/h1-9,14-16,18H,10-13,17H2
InChIKeyVBWLVSVCIPPERL-UHFFFAOYSA-N
XLogP5.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine (CID 11464785) is 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine is Fc1ccccc1-n1cnc2cnc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c21.
What is the InChIKey of 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine?
The InChIKey is VBWLVSVCIPPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c28-23-6-1-2-7-26(23)32-18-30-25-16-29-24-9-8-21(15-22(24)27(25)32)20-5-3-4-19(14-20)17-31-10-12-33-13-11-31/h1-9,14-16,18H,10-13,17H2.
What are the key properties of 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine?
4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine has a molecular weight of 438.51 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(2-fluorophenyl)imidazo[4,5-c]quinolin-8-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 11464785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).