N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine

C18H20N4O2 — CID 131963511

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCc3nnc(C4CC4)o3)ccnc12
InChIInChI=1S/C18H20N4O2/c1-2-10-23-15-5-3-4-13-14(8-9-19-17(13)15)20-11-16-21-22-18(24-16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyMWQJIDYSCJHTMP-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.90
Rot. Bonds7

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine (PubChem CID 131963511) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
PubChem CID131963511
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCc3nnc(C4CC4)o3)ccnc12
InChIInChI=1S/C18H20N4O2/c1-2-10-23-15-5-3-4-13-14(8-9-19-17(13)15)20-11-16-21-22-18(24-16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20)
InChIKeyMWQJIDYSCJHTMP-UHFFFAOYSA-N
XLogP3.90
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine (CID 131963511) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine is CCCOc1cccc2c(NCc3nnc(C4CC4)o3)ccnc12.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine?
The InChIKey is MWQJIDYSCJHTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-10-23-15-5-3-4-13-14(8-9-19-17(13)15)20-11-16-21-22-18(24-16)12-6-7-12/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine has a molecular weight of 324.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine is sourced from PubChem (CID 131963511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).