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

C26H34FN5O3 — CID 137434251

IUPAC1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N[C@@H]4CCCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1
InChIInChI=1S/C26H34FN5O3/c1-15(2)34-20-12-21-16(3)23(26-28-17(4)31-35-26)25(30-24(21)22(27)13-20)32-9-7-18(8-10-32)29-19-6-5-11-33-14-19/h12-13,15,18-19,29H,5-11,14H2,1-4H3/t19-/m1/s1
InChIKeyGPKWLMFQUYKTPR-LJQANCHMSA-N
MW483.59 g/mol
LogP4.57
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)-oxan-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)-oxan-3-yl]piperidin-4-amine (PubChem CID 137434251) has the molecular formula C26H34FN5O3 and a molecular weight of 483.59 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)-oxan-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)-oxan-3-yl]piperidin-4-amine
PubChem CID137434251
Molecular FormulaC26H34FN5O3
Molecular Weight483.59 g/mol
Exact Mass483.26
IUPAC Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N[C@@H]4CCCOC4)CC3)nc3c(F)cc(OC(C)C)cc3c2C)n1
InChIInChI=1S/C26H34FN5O3/c1-15(2)34-20-12-21-16(3)23(26-28-17(4)31-35-26)25(30-24(21)22(27)13-20)32-9-7-18(8-10-32)29-19-6-5-11-33-14-19/h12-13,15,18-19,29H,5-11,14H2,1-4H3/t19-/m1/s1
InChIKeyGPKWLMFQUYKTPR-LJQANCHMSA-N
XLogP4.57
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.57
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)-oxan-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)-oxan-3-yl]piperidin-4-amine (CID 137434251) is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-yloxyquinolin-2-yl]-N-[(3R)-oxan-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)-oxan-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)-oxan-3-yl]piperidin-4-amine is Cc1noc(-c2c(N3CCC(N[C@@H]4CCCOC4)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)-oxan-3-yl]piperidin-4-amine?
The InChIKey is GPKWLMFQUYKTPR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H34FN5O3/c1-15(2)34-20-12-21-16(3)23(26-28-17(4)31-35-26)25(30-24(21)22(27)13-20)32-9-7-18(8-10-32)29-19-6-5-11-33-14-19/h12-13,15,18-19,29H,5-11,14H2,1-4H3/t19-/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)-oxan-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)-oxan-3-yl]piperidin-4-amine has a molecular weight of 483.59 g/mol, XLogP of 4.57, 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)-oxan-3-yl]piperidin-4-amine is sourced from PubChem (CID 137434251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).