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

C27H23FN4O — CID 139326572

IUPAC4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c2ccc(F)cc2n1
InChIInChI=1S/C27H23FN4O/c1-18-14-24(23-7-4-21(28)16-25(23)30-18)26-17-29-27-15-20(8-9-32(26)27)19-2-5-22(6-3-19)31-10-12-33-13-11-31/h2-9,14-17H,10-13H2,1H3
InChIKeyNUABBJDZRSXZQR-UHFFFAOYSA-N
MW438.51 g/mol
LogP5.50
Rot. Bonds3

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

4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine (PubChem CID 139326572) has the molecular formula C27H23FN4O and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
PubChem CID139326572
Molecular FormulaC27H23FN4O
Molecular Weight438.51 g/mol
Exact Mass438.19
IUPAC Name4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c2ccc(F)cc2n1
InChIInChI=1S/C27H23FN4O/c1-18-14-24(23-7-4-21(28)16-25(23)30-18)26-17-29-27-15-20(8-9-32(26)27)19-2-5-22(6-3-19)31-10-12-33-13-11-31/h2-9,14-17H,10-13H2,1H3
InChIKeyNUABBJDZRSXZQR-UHFFFAOYSA-N
XLogP5.50
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine (CID 139326572) is 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine is Cc1cc(-c2cnc3cc(-c4ccc(N5CCOCC5)cc4)ccn23)c2ccc(F)cc2n1.
What is the InChIKey of 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
The InChIKey is NUABBJDZRSXZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O/c1-18-14-24(23-7-4-21(28)16-25(23)30-18)26-17-29-27-15-20(8-9-32(26)27)19-2-5-22(6-3-19)31-10-12-33-13-11-31/h2-9,14-17H,10-13H2,1H3.
What are the key properties of 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine?
4-[4-[3-(7-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 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(7-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]morpholine is sourced from PubChem (CID 139326572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).