6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline

C18H21F2N3O — CID 133494089

IUPAC6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
SMILESFc1cc(F)c2nccc(N3CCN(C4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H21F2N3O/c19-13-11-15-17(1-4-21-18(15)16(20)12-13)23-7-5-22(6-8-23)14-2-9-24-10-3-14/h1,4,11-12,14H,2-3,5-10H2
InChIKeyRNWVQWLGBUDSIJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.81
Rot. Bonds2

About 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline

6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline (PubChem CID 133494089) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
PubChem CID133494089
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
SMILESFc1cc(F)c2nccc(N3CCN(C4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H21F2N3O/c19-13-11-15-17(1-4-21-18(15)16(20)12-13)23-7-5-22(6-8-23)14-2-9-24-10-3-14/h1,4,11-12,14H,2-3,5-10H2
InChIKeyRNWVQWLGBUDSIJ-UHFFFAOYSA-N
XLogP2.81
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
CID 172900616
6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133494889
6,8-difluoro-4-(3-methylsulfanylazepan-1-yl)quinoline
CID 133494940
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
1-(4-butan-2-yl-2-fluorophenyl)-4-(oxan-4-yl)piperazine
CID 135291685
1-[1-(6-chloro-8-methylquinolin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72881123
4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691424
2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-thiazole
CID 75496874
4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
CID 58772339
(2S)-1-[(6,8-difluoroquinolin-4-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 99712353
1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
CID 134362089

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The IUPAC name of 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline (CID 133494089) is 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline is Fc1cc(F)c2nccc(N3CCN(C4CCOCC4)CC3)c2c1.
What is the InChIKey of 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The InChIKey is RNWVQWLGBUDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c19-13-11-15-17(1-4-21-18(15)16(20)12-13)23-7-5-22(6-8-23)14-2-9-24-10-3-14/h1,4,11-12,14H,2-3,5-10H2.
What are the key properties of 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline has a molecular weight of 333.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-[4-(oxan-4-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 133494089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).