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

C24H33N5O — CID 155543816

IUPAC1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H33N5O/c1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3/h7-8,13-16,20,25H,6,9-12H2,1-5H3/t16-/m0/s1
InChIKeyNCMLJUYBNDZNQL-INIZCTEOSA-N
MW407.56 g/mol
LogP4.76
Rot. Bonds6

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

1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine (PubChem CID 155543816) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
PubChem CID155543816
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C24H33N5O/c1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3/h7-8,13-16,20,25H,6,9-12H2,1-5H3/t16-/m0/s1
InChIKeyNCMLJUYBNDZNQL-INIZCTEOSA-N
XLogP4.76
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine (CID 155543816) is 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine is CCc1ccc2nc(N3CCC(N[C@@H](C)C(C)C)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine?
The InChIKey is NCMLJUYBNDZNQL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H33N5O/c1-6-18-7-8-22-19(13-18)14-21(24-26-17(5)28-30-24)23(27-22)29-11-9-20(10-12-29)25-16(4)15(2)3/h7-8,13-16,20,25H,6,9-12H2,1-5H3/t16-/m0/s1.
What are the key properties of 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine?
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine is sourced from PubChem (CID 155543816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).