2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol

C19H17F2NO2 — CID 142796382

IUPAC2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol
SMILESCc1nc2c(F)cccc2c(F)c1Oc1cccc(C(C)(C)O)c1
InChIInChI=1S/C19H17F2NO2/c1-11-18(16(21)14-8-5-9-15(20)17(14)22-11)24-13-7-4-6-12(10-13)19(2,3)23/h4-10,23H,1-3H3
InChIKeyLICYQYHQXQLBNV-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.84
Rot. Bonds3

About 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol

2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol (PubChem CID 142796382) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol
PubChem CID142796382
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol
SMILESCc1nc2c(F)cccc2c(F)c1Oc1cccc(C(C)(C)O)c1
InChIInChI=1S/C19H17F2NO2/c1-11-18(16(21)14-8-5-9-15(20)17(14)22-11)24-13-7-4-6-12(10-13)19(2,3)23/h4-10,23H,1-3H3
InChIKeyLICYQYHQXQLBNV-UHFFFAOYSA-N
XLogP4.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol (CID 142796382) is 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol is Cc1nc2c(F)cccc2c(F)c1Oc1cccc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol?
The InChIKey is LICYQYHQXQLBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-11-18(16(21)14-8-5-9-15(20)17(14)22-11)24-13-7-4-6-12(10-13)19(2,3)23/h4-10,23H,1-3H3.
What are the key properties of 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol?
2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol has a molecular weight of 329.35 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,8-difluoro-2-methylquinolin-3-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 142796382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).