1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

C22H28FN5O — CID 118264079

IUPAC1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1nc(-c2cc3ccc(F)c(C)c3nc2N2CCC(NCC(C)C)CC2)no1
InChIInChI=1S/C22H28FN5O/c1-13(2)12-24-17-7-9-28(10-8-17)22-18(21-25-15(4)29-27-21)11-16-5-6-19(23)14(3)20(16)26-22/h5-6,11,13,17,24H,7-10,12H2,1-4H3
InChIKeyQOOVJGPITYNAAA-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.26
Rot. Bonds5

About 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine

1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 118264079) has the molecular formula C22H28FN5O and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID118264079
Molecular FormulaC22H28FN5O
Molecular Weight397.50 g/mol
Exact Mass397.23
IUPAC Name1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1nc(-c2cc3ccc(F)c(C)c3nc2N2CCC(NCC(C)C)CC2)no1
InChIInChI=1S/C22H28FN5O/c1-13(2)12-24-17-7-9-28(10-8-17)22-18(21-25-15(4)29-27-21)11-16-5-6-19(23)14(3)20(16)26-22/h5-6,11,13,17,24H,7-10,12H2,1-4H3
InChIKeyQOOVJGPITYNAAA-UHFFFAOYSA-N
XLogP4.26
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
CID 129252293
N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine
CID 129252298
N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
CID 66777185
(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
CID 118263992
1-[2-(4-carbamoylpiperidin-1-yl)-7-fluoro-8-methylquinolin-3-yl]ethylcarbamic acid
CID 66776778
N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158520822
3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-[4-[[(3R)-oxan-3-yl]amino]piperidin-1-yl]-6-(trifluoromethoxy)quinoline-8-carbonitrile
CID 135329072
5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
CID 50748686
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166154
[N-(1-aminoethyl)-C-[7-chloro-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 149341207
5-(aminomethyl)-3-[3-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 142879229
1-[4-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]piperazin-1-yl]propan-1-one
CID 71183494

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine (CID 118264079) is 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is Cc1nc(-c2cc3ccc(F)c(C)c3nc2N2CCC(NCC(C)C)CC2)no1.
What is the InChIKey of 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is QOOVJGPITYNAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O/c1-13(2)12-24-17-7-9-28(10-8-17)22-18(21-25-15(4)29-27-21)11-16-5-6-19(23)14(3)20(16)26-22/h5-6,11,13,17,24H,7-10,12H2,1-4H3.
What are the key properties of 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine?
1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 397.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-8-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 118264079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).