(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine

C26H34FN5O2 — CID 135329004

IUPAC(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](C)C3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C26H34FN5O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19/h12-13,15,19,22,29H,5-11,14H2,1-4H3/t15-,22+/m1/s1
InChIKeyUHJLUTDGXXGELH-QRQCRPRQSA-N
MW467.59 g/mol
LogP4.59
Rot. Bonds5

About (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine

(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 135329004) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine
PubChem CID135329004
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](C)C3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C26H34FN5O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19/h12-13,15,19,22,29H,5-11,14H2,1-4H3/t15-,22+/m1/s1
InChIKeyUHJLUTDGXXGELH-QRQCRPRQSA-N
XLogP4.59
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine
CID 137434175
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434120
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434196
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434366
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434496
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 155527414
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
trans-(1S,2S)-2-[[1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 155551744
1-(6-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 118263805
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263857
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263892
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263923

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine (CID 135329004) is (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine is CCc1cc(F)c2nc(N3CC[C@H](NC4CCOCC4)[C@H](C)C3)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UHJLUTDGXXGELH-QRQCRPRQSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-5-18-12-20-16(3)23(26-28-17(4)31-34-26)25(30-24(20)21(27)13-18)32-9-6-22(15(2)14-32)29-19-7-10-33-11-8-19/h12-13,15,19,22,29H,5-11,14H2,1-4H3/t15-,22+/m1/s1.
What are the key properties of (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine?
(3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 467.59 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 135329004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).