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

C25H32FN5O3 — CID 137434358

IUPAC1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1
InChIInChI=1S/C25H32FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18/h11-12,14,17-18,28H,5-10,13H2,1-4H3/t18-/m1/s1
InChIKeyVWNWPBJQXPLYQG-GOSISDBHSA-N
MW469.56 g/mol
LogP4.18
Rot. Bonds6

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

1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (PubChem CID 137434358) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
PubChem CID137434358
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1
InChIInChI=1S/C25H32FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18/h11-12,14,17-18,28H,5-10,13H2,1-4H3/t18-/m1/s1
InChIKeyVWNWPBJQXPLYQG-GOSISDBHSA-N
XLogP4.18
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine (CID 137434358) is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is Cc1noc(-c2c(N3CCC(N[C@@H]4CCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1.
What is the InChIKey of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
The InChIKey is VWNWPBJQXPLYQG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-14(2)33-19-11-20-15(3)22(25-27-16(4)30-34-25)24(29-23(20)21(26)12-19)31-8-5-17(6-9-31)28-18-7-10-32-13-18/h11-12,14,17-18,28H,5-10,13H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine?
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine has a molecular weight of 469.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine is sourced from PubChem (CID 137434358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).