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

C21H22N4O2 — CID 50754481

IUPAC8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NCc2ccc(C)o2)no1
InChIInChI=1S/C21H22N4O2/c1-4-6-18-23-21(25-27-18)17-11-15-8-5-7-13(2)19(15)24-20(17)22-12-16-10-9-14(3)26-16/h5,7-11H,4,6,12H2,1-3H3,(H,22,24)
InChIKeyAMZJVQOMBHVTQB-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.06
Rot. Bonds6

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

8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754481) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754481
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NCc2ccc(C)o2)no1
InChIInChI=1S/C21H22N4O2/c1-4-6-18-23-21(25-27-18)17-11-15-8-5-7-13(2)19(15)24-20(17)22-12-16-10-9-14(3)26-16/h5,7-11H,4,6,12H2,1-3H3,(H,22,24)
InChIKeyAMZJVQOMBHVTQB-UHFFFAOYSA-N
XLogP5.06
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754567
N-cyclopentyl-8-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754610
N-[(4-methoxyphenyl)methyl]-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
CID 50754513
5-butyl-3-(2-ethoxy-8-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3782941
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methylphenyl)methyl]quinolin-2-amine
CID 50754639
8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(2-phenylethyl)quinolin-2-amine
CID 50748577
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-phenyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754502
6-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-N-(2-pyridin-2-ylethyl)quinolin-2-amine
CID 50754556
N-methyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62716729
2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883262

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754481) is 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is CCCc1nc(-c2cc3cccc(C)c3nc2NCc2ccc(C)o2)no1.
What is the InChIKey of 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is AMZJVQOMBHVTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-6-18-23-21(25-27-18)17-11-15-8-5-7-13(2)19(15)24-20(17)22-12-16-10-9-14(3)26-16/h5,7-11H,4,6,12H2,1-3H3,(H,22,24).
What are the key properties of 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 362.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).