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

C18H22N4O — CID 133305648

IUPAC2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
SMILESCc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1
InChIInChI=1S/C18H22N4O/c1-12(2)18-21-17(23-22-18)9-6-10-19-16-11-13(3)20-15-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,20)
InChIKeyDJVCUZZQMZUXSU-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.09
Rot. Bonds6

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

2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine (PubChem CID 133305648) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
PubChem CID133305648
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
SMILESCc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1
InChIInChI=1S/C18H22N4O/c1-12(2)18-21-17(23-22-18)9-6-10-19-16-11-13(3)20-15-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,20)
InChIKeyDJVCUZZQMZUXSU-UHFFFAOYSA-N
XLogP4.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133405040
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
5-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazol-3-amine
CID 133482477
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine (CID 133305648) is 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine is Cc1cc(NCCCc2nc(C(C)C)no2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
The InChIKey is DJVCUZZQMZUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12(2)18-21-17(23-22-18)9-6-10-19-16-11-13(3)20-15-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine?
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine is sourced from PubChem (CID 133305648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).