1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol

C15H17ClFNO — CID 170319257

IUPAC1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol
SMILESCC(O)Cc1cc(C(C)C)c2cc(Cl)cc(F)c2n1
InChIInChI=1S/C15H17ClFNO/c1-8(2)12-7-11(4-9(3)19)18-15-13(12)5-10(16)6-14(15)17/h5-9,19H,4H2,1-3H3
InChIKeyABWMBPSOWFGBMD-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.07
Rot. Bonds3

About 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol

1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol (PubChem CID 170319257) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol
PubChem CID170319257
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol
SMILESCC(O)Cc1cc(C(C)C)c2cc(Cl)cc(F)c2n1
InChIInChI=1S/C15H17ClFNO/c1-8(2)12-7-11(4-9(3)19)18-15-13(12)5-10(16)6-14(15)17/h5-9,19H,4H2,1-3H3
InChIKeyABWMBPSOWFGBMD-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trichloro-3-(quinolin-2-yl)propan-2-ol
CID 225990
(2-Chloroquinolin-3-yl)methanol
CID 930708
(E)-3-(6-chloroquinolin-2-yl)prop-2-en-1-ol
CID 73351038
2-[2,6-Dichloro-4-(2-chlorophenyl)-3-quinolyl]ethanol
CID 53319662
(E)-3-[6-chloro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
CID 73347938
(E)-3-(6-chloro-5-fluoroquinolin-2-yl)prop-2-en-1-ol
CID 73349480
(E)-3-[6-chloro-7-fluoro-4-(4-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
CID 73349481
(E)-3-[6-chloro-7-fluoro-4-(3-fluorophenyl)quinolin-2-yl]prop-2-en-1-ol
CID 73352514
4-Chloro-alpha-(2-quinolinylmethyl)benzyl alcohol
CID 4525777
1-(2-Chloroquinolin-3-yl)ethan-1-ol
CID 13301743
1-(Quinolin-2-yl)propan-2-ol
CID 19432910
(4-Chloroquinolin-2-yl)methanol
CID 53800151

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol (CID 170319257) is 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol is CC(O)Cc1cc(C(C)C)c2cc(Cl)cc(F)c2n1.
What is the InChIKey of 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol?
The InChIKey is ABWMBPSOWFGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-8(2)12-7-11(4-9(3)19)18-15-13(12)5-10(16)6-14(15)17/h5-9,19H,4H2,1-3H3.
What are the key properties of 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol?
1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol has a molecular weight of 281.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 170319257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).