1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

C22H29N5O — CID 118263892

IUPAC1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3
InChIKeyGIXQPNRFKDSHSF-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.12
Rot. Bonds5

About 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 118263892) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID118263892
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3
InChIKeyGIXQPNRFKDSHSF-UHFFFAOYSA-N
XLogP4.12
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (CID 118263892) is 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is GIXQPNRFKDSHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-14(2)13-23-18-7-9-27(10-8-18)21-19(22-24-16(4)26-28-22)12-17-11-15(3)5-6-20(17)25-21/h5-6,11-12,14,18,23H,7-10,13H2,1-4H3.
What are the key properties of 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 379.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 118263892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).