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

C15H20N4O — CID 61496237

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCCCc1nc(CN2CCCc3c(N)cccc32)no1
InChIInChI=1S/C15H20N4O/c1-2-5-15-17-14(18-20-15)10-19-9-4-6-11-12(16)7-3-8-13(11)19/h3,7-8H,2,4-6,9-10,16H2,1H3
InChIKeyVQJCDUUSAYIBOY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds4

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

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 61496237) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
PubChem CID61496237
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
SMILESCCCc1nc(CN2CCCc3c(N)cccc32)no1
InChIInChI=1S/C15H20N4O/c1-2-5-15-17-14(18-20-15)10-19-9-4-6-11-12(16)7-3-8-13(11)19/h3,7-8H,2,4-6,9-10,16H2,1H3
InChIKeyVQJCDUUSAYIBOY-UHFFFAOYSA-N
XLogP2.56
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971888
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 120751341
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
3-[(7-fluoro-4-propyl-2,3-dihydroquinoxalin-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 99799936
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456594
1-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 62735499
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine;hydrochloride
CID 120897129
2-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524197
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine (CID 61496237) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is CCCc1nc(CN2CCCc3c(N)cccc32)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is VQJCDUUSAYIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-15-17-14(18-20-15)10-19-9-4-6-11-12(16)7-3-8-13(11)19/h3,7-8H,2,4-6,9-10,16H2,1H3.
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 272.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 61496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).