3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine

C27H23FN4O — CID 139495455

IUPAC3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H23FN4O/c1-17-12-23(22-14-21(28)6-7-24(22)31-17)26-15-30-27-13-20(8-10-32(26)27)18-2-4-19(5-3-18)25-16-33-11-9-29-25/h2-8,10,12-15,25,29H,9,11,16H2,1H3
InChIKeyVGNKRPOVFPKJEN-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.32
Rot. Bonds3

About 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine

3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine (PubChem CID 139495455) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
PubChem CID139495455
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2cc(F)ccc2n1
InChIInChI=1S/C27H23FN4O/c1-17-12-23(22-14-21(28)6-7-24(22)31-17)26-15-30-27-13-20(8-10-32(26)27)18-2-4-19(5-3-18)25-16-33-11-9-29-25/h2-8,10,12-15,25,29H,9,11,16H2,1H3
InChIKeyVGNKRPOVFPKJEN-UHFFFAOYSA-N
XLogP5.32
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The IUPAC name of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine (CID 139495455) is 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine is Cc1cc(-c2cnc3cc(-c4ccc(C5COCCN5)cc4)ccn23)c2cc(F)ccc2n1.
What is the InChIKey of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The InChIKey is VGNKRPOVFPKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-17-12-23(22-14-21(28)6-7-24(22)31-17)26-15-30-27-13-20(8-10-32(26)27)18-2-4-19(5-3-18)25-16-33-11-9-29-25/h2-8,10,12-15,25,29H,9,11,16H2,1H3.
What are the key properties of 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine has a molecular weight of 438.51 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 139495455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).