(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol

C21H27N5O2 — CID 118263992

IUPAC(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
SMILESCc1ccc2nc(N3CCC(NC[C@H](C)O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C21H27N5O2/c1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3/t14-/m0/s1
InChIKeyHGVDPSLWTCEZOP-AWEZNQCLSA-N
MW381.48 g/mol
LogP2.84
Rot. Bonds5

About (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol

(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol (PubChem CID 118263992) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
PubChem CID118263992
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol
SMILESCc1ccc2nc(N3CCC(NC[C@H](C)O)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C21H27N5O2/c1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3/t14-/m0/s1
InChIKeyHGVDPSLWTCEZOP-AWEZNQCLSA-N
XLogP2.84
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (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) is (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol is Cc1ccc2nc(N3CCC(NC[C@H](C)O)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
The InChIKey is HGVDPSLWTCEZOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13-4-5-19-16(10-13)11-18(21-23-15(3)25-28-21)20(24-19)26-8-6-17(7-9-26)22-12-14(2)27/h4-5,10-11,14,17,22,27H,6-9,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol?
(2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 118263992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).