8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one

C44H50F2N8O5 — CID 158181741

IUPAC8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one
SMILESCc1noc(-c2c(N3CCC(=O)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C23H27FN4O3.C21H23FN4O2/c1-13(2)16-11-17-14(3)19(22-25-15(4)27-31-22)21(26-20(17)18(24)12-16)28-7-5-23(6-8-28)29-9-10-30-23;1-11(2)14-9-16-12(3)18(21-23-13(4)25-28-21)20(24-19(16)17(22)10-14)26-7-5-15(27)6-8-26/h11-13H,5-10H2,1-4H3;9-11H,5-8H2,1-4H3
InChIKeyFYRFCSUDUNKHMO-UHFFFAOYSA-N
MW808.93 g/mol
LogP8.84
Rot. Bonds6

About 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one

8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one (PubChem CID 158181741) has the molecular formula C44H50F2N8O5 and a molecular weight of 808.93 g/mol. Its IUPAC name is 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one
PubChem CID158181741
Molecular FormulaC44H50F2N8O5
Molecular Weight808.93 g/mol
Exact Mass808.39
IUPAC Name8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one
SMILESCc1noc(-c2c(N3CCC(=O)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C23H27FN4O3.C21H23FN4O2/c1-13(2)16-11-17-14(3)19(22-25-15(4)27-31-22)21(26-20(17)18(24)12-16)28-7-5-23(6-8-28)29-9-10-30-23;1-11(2)14-9-16-12(3)18(21-23-13(4)25-28-21)20(24-19(16)17(22)10-14)26-7-5-15(27)6-8-26/h11-13H,5-10H2,1-4H3;9-11H,5-8H2,1-4H3
InChIKeyFYRFCSUDUNKHMO-UHFFFAOYSA-N
XLogP8.84
TPSA145.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.93
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one 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-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329104
(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 135329040
(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 135329081
1-[6-cyclobutyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 135329123
1-[6-cyclobutyl-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 137434125
1-[6-cyclobutyl-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 137434143
(2S,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 137434162

Frequently Asked Questions

What is the IUPAC name of 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one?
The IUPAC name of 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one (CID 158181741) is 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one.
What is the SMILES notation for 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one?
The canonical SMILES for 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one is Cc1noc(-c2c(N3CCC(=O)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1.Cc1noc(-c2c(N3CCC4(CC3)OCCO4)nc3c(F)cc(C(C)C)cc3c2C)n1.
What is the InChIKey of 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one?
The InChIKey is FYRFCSUDUNKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3.C21H23FN4O2/c1-13(2)16-11-17-14(3)19(22-25-15(4)27-31-22)21(26-20(17)18(24)12-16)28-7-5-23(6-8-28)29-9-10-30-23;1-11(2)14-9-16-12(3)18(21-23-13(4)25-28-21)20(24-19(16)17(22)10-14)26-7-5-15(27)6-8-26/h11-13H,5-10H2,1-4H3;9-11H,5-8H2,1-4H3.
What are the key properties of 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one?
8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one has a molecular weight of 808.93 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-one is sourced from PubChem (CID 158181741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).