4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one

C30H26N6O4 — CID 136942072

IUPAC4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccc(-c3c(CCc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)o1
InChIInChI=1S/C30H26N6O4/c37-29-27(40-30(38)34-29)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)32-22)33-28-25(13-14-31-36(26)28)35-15-17-39-18-16-35/h1-10,13-14,37H,11-12,15-18H2,(H,34,38)
InChIKeyUXPNCYCPIFADNH-UHFFFAOYSA-N
MW534.58 g/mol
LogP4.22
Rot. Bonds6

About 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one

4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one (PubChem CID 136942072) has the molecular formula C30H26N6O4 and a molecular weight of 534.58 g/mol. Its IUPAC name is 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one
PubChem CID136942072
Molecular FormulaC30H26N6O4
Molecular Weight534.58 g/mol
Exact Mass534.20
IUPAC Name4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccc(-c3c(CCc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)o1
InChIInChI=1S/C30H26N6O4/c37-29-27(40-30(38)34-29)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)32-22)33-28-25(13-14-31-36(26)28)35-15-17-39-18-16-35/h1-10,13-14,37H,11-12,15-18H2,(H,34,38)
InChIKeyUXPNCYCPIFADNH-UHFFFAOYSA-N
XLogP4.22
TPSA121.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one (CID 136942072) is 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one is O=c1[nH]c(O)c(-c2ccc(-c3c(CCc4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cc2)o1.
What is the InChIKey of 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one?
The InChIKey is UXPNCYCPIFADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O4/c37-29-27(40-30(38)34-29)21-7-5-20(6-8-21)26-24(12-11-22-10-9-19-3-1-2-4-23(19)32-22)33-28-25(13-14-31-36(26)28)35-15-17-39-18-16-35/h1-10,13-14,37H,11-12,15-18H2,(H,34,38).
What are the key properties of 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one?
4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one has a molecular weight of 534.58 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 136942072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).