[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

C26H25FN4O2 — CID 70227480

IUPAC[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCc1cn2c(n1)CCc1cc(/C=C3/CCCN4C3=NOC4(CO)c3ccc(F)cc3)ccc1-2
InChIInChI=1S/C26H25FN4O2/c1-17-15-30-23-10-4-18(13-19(23)5-11-24(30)28-17)14-20-3-2-12-31-25(20)29-33-26(31,16-32)21-6-8-22(27)9-7-21/h4,6-10,13-15,32H,2-3,5,11-12,16H2,1H3/b20-14-
InChIKeyMPEUWMAEECNCEZ-ZHZULCJRSA-N
MW444.51 g/mol
LogP4.09
Rot. Bonds3

About [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol

[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 70227480) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID70227480
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol
SMILESCc1cn2c(n1)CCc1cc(/C=C3/CCCN4C3=NOC4(CO)c3ccc(F)cc3)ccc1-2
InChIInChI=1S/C26H25FN4O2/c1-17-15-30-23-10-4-18(13-19(23)5-11-24(30)28-17)14-20-3-2-12-31-25(20)29-33-26(31,16-32)21-6-8-22(27)9-7-21/h4,6-10,13-15,32H,2-3,5,11-12,16H2,1H3/b20-14-
InChIKeyMPEUWMAEECNCEZ-ZHZULCJRSA-N
XLogP4.09
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol (CID 70227480) is [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is Cc1cn2c(n1)CCc1cc(/C=C3/CCCN4C3=NOC4(CO)c3ccc(F)cc3)ccc1-2.
What is the InChIKey of [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is MPEUWMAEECNCEZ-ZHZULCJRSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17-15-30-23-10-4-18(13-19(23)5-11-24(30)28-17)14-20-3-2-12-31-25(20)29-33-26(31,16-32)21-6-8-22(27)9-7-21/h4,6-10,13-15,32H,2-3,5,11-12,16H2,1H3/b20-14-.
What are the key properties of [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol?
[(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 444.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8Z)-3-(4-fluorophenyl)-8-[(2-methyl-4,5-dihydroimidazo[1,2-a]quinolin-7-yl)methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 70227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).