(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine

C26H34FN5O2 — CID 135329050

IUPAC(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20-/m1/s1
InChIKeyNQAKQWYNHMOUJA-CDHQVMDDSA-N
MW467.59 g/mol
LogP4.90
Rot. Bonds5

About (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine

(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine (PubChem CID 135329050) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
PubChem CID135329050
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC Name(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20-/m1/s1
InChIKeyNQAKQWYNHMOUJA-CDHQVMDDSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine (CID 135329050) is (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine is Cc1noc(-c2c(N3CC[C@@H](N[C@@H]4CCOC4)C[C@H]3C)nc3c(F)cc(C(C)C)cc3c2C)n1.
What is the InChIKey of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is NQAKQWYNHMOUJA-CDHQVMDDSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-14(2)18-11-21-16(4)23(26-28-17(5)31-34-26)25(30-24(21)22(27)12-18)32-8-6-19(10-15(32)3)29-20-7-9-33-13-20/h11-12,14-15,19-20,29H,6-10,13H2,1-5H3/t15-,19-,20-/m1/s1.
What are the key properties of (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
(2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 467.59 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-2-methyl-N-[(3R)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 135329050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).