1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine

C16H22N4O — CID 60971888

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCC(C)(C)c1nc(CN2CCCc3c(N)cccc32)no1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-18-14(19-21-15)10-20-9-5-6-11-12(17)7-4-8-13(11)20/h4,7-8H,5-6,9-10,17H2,1-3H3
InChIKeyOODWMVRXKHUUJM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.90
Rot. Bonds2

About 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 60971888) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID60971888
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCC(C)(C)c1nc(CN2CCCc3c(N)cccc32)no1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15-18-14(19-21-15)10-20-9-5-6-11-12(17)7-4-8-13(11)20/h4,7-8H,5-6,9-10,17H2,1-3H3
InChIKeyOODWMVRXKHUUJM-UHFFFAOYSA-N
XLogP2.90
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (CID 60971888) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is CC(C)(C)c1nc(CN2CCCc3c(N)cccc32)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is OODWMVRXKHUUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)15-18-14(19-21-15)10-20-9-5-6-11-12(17)7-4-8-13(11)20/h4,7-8H,5-6,9-10,17H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 286.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 60971888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).