5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol

C18H16FNO2 — CID 168883113

IUPAC5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(-c2ccc3cc(F)ccc3n2)cc1O
InChIInChI=1S/C18H16FNO2/c1-10(2)18-16(21)8-12(9-17(18)22)15-5-3-11-7-13(19)4-6-14(11)20-15/h3-10,21-22H,1-2H3
InChIKeyBLESUWYNBXLQKY-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.58
Rot. Bonds2

About 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol

5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol (PubChem CID 168883113) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol
PubChem CID168883113
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(-c2ccc3cc(F)ccc3n2)cc1O
InChIInChI=1S/C18H16FNO2/c1-10(2)18-16(21)8-12(9-17(18)22)15-5-3-11-7-13(19)4-6-14(11)20-15/h3-10,21-22H,1-2H3
InChIKeyBLESUWYNBXLQKY-UHFFFAOYSA-N
XLogP4.58
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24144
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4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
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Quininib
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3-Hydroxy-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432687
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
2-[2-(4-Ethylphenyl)vinyl]-8-quinolinol
CID 5731645
3-[(E)-2-quinolin-2-ylethenyl]phenol
CID 6223893
4-Ethyl-2-(3-fluoro-4-hydroxy-phenyl)-quinolin-6-ol
CID 135409961
2-(3,5-Difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol
CID 135436566
2-(3-Fluoro-4-hydroxy-phenyl)-4-phenyl-quinolin-6-ol
CID 135454811

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol (CID 168883113) is 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(-c2ccc3cc(F)ccc3n2)cc1O.
What is the InChIKey of 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is BLESUWYNBXLQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-10(2)18-16(21)8-12(9-17(18)22)15-5-3-11-7-13(19)4-6-14(11)20-15/h3-10,21-22H,1-2H3.
What are the key properties of 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol?
5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 297.33 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 168883113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).