N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

C20H24N4O — CID 50754610

IUPACN-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NC2CCCC2)no1
InChIInChI=1S/C20H24N4O/c1-3-7-17-22-20(24-25-17)16-12-14-9-6-8-13(2)18(14)23-19(16)21-15-10-4-5-11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3,(H,21,23)
InChIKeyFYNGEYCXMMHJJA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.90
Rot. Bonds5

About N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754610) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754610
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NC2CCCC2)no1
InChIInChI=1S/C20H24N4O/c1-3-7-17-22-20(24-25-17)16-12-14-9-6-8-13(2)18(14)23-19(16)21-15-10-4-5-11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3,(H,21,23)
InChIKeyFYNGEYCXMMHJJA-UHFFFAOYSA-N
XLogP4.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754481
N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754567
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
3-(2-ethoxy-8-methylquinolin-3-yl)-5-ethyl-1,2,4-oxadiazole
CID 2002514
3-(2-ethoxy-8-methylquinolin-3-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 2016493
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
CID 50748577
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277
8-methyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
CID 50754639
6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754556
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754610) is N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is CCCc1nc(-c2cc3cccc(C)c3nc2NC2CCCC2)no1.
What is the InChIKey of N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is FYNGEYCXMMHJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-7-17-22-20(24-25-17)16-12-14-9-6-8-13(2)18(14)23-19(16)21-15-10-4-5-11-15/h6,8-9,12,15H,3-5,7,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).