2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole

C22H19FN4O — CID 87011115

IUPAC2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2Cc3ccccc3CN2Cc2ccc(F)c3cccnc23)o1
InChIInChI=1S/C22H19FN4O/c1-14-25-26-22(28-14)20-11-15-5-2-3-6-16(15)12-27(20)13-17-8-9-19(23)18-7-4-10-24-21(17)18/h2-10,20H,11-13H2,1H3
InChIKeyNILQDQHQAPKUGP-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole

2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 87011115) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID87011115
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C2Cc3ccccc3CN2Cc2ccc(F)c3cccnc23)o1
InChIInChI=1S/C22H19FN4O/c1-14-25-26-22(28-14)20-11-15-5-2-3-6-16(15)12-27(20)13-17-8-9-19(23)18-7-4-10-24-21(17)18/h2-10,20H,11-13H2,1H3
InChIKeyNILQDQHQAPKUGP-UHFFFAOYSA-N
XLogP4.36
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole (CID 87011115) is 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C2Cc3ccccc3CN2Cc2ccc(F)c3cccnc23)o1.
What is the InChIKey of 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NILQDQHQAPKUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-25-26-22(28-14)20-11-15-5-2-3-6-16(15)12-27(20)13-17-8-9-19(23)18-7-4-10-24-21(17)18/h2-10,20H,11-13H2,1H3.
What are the key properties of 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole?
2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 374.42 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoroquinolin-8-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 87011115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).