2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol

C17H14ClF2N3O — CID 163381282

IUPAC2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
SMILESCc1cc(C(C)(C)O)c2cc(-c3nc(Cl)ncc3F)cc(F)c2n1
InChIInChI=1S/C17H14ClF2N3O/c1-8-4-11(17(2,3)24)10-5-9(6-12(19)15(10)22-8)14-13(20)7-21-16(18)23-14/h4-7,24H,1-3H3
InChIKeyYHBGUMACPPZDPU-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.16
Rot. Bonds2

About 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol

2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol (PubChem CID 163381282) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
PubChem CID163381282
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
SMILESCc1cc(C(C)(C)O)c2cc(-c3nc(Cl)ncc3F)cc(F)c2n1
InChIInChI=1S/C17H14ClF2N3O/c1-8-4-11(17(2,3)24)10-5-9(6-12(19)15(10)22-8)14-13(20)7-21-16(18)23-14/h4-7,24H,1-3H3
InChIKeyYHBGUMACPPZDPU-UHFFFAOYSA-N
XLogP4.16
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol?
The IUPAC name of 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol (CID 163381282) is 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol?
The canonical SMILES for 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol is Cc1cc(C(C)(C)O)c2cc(-c3nc(Cl)ncc3F)cc(F)c2n1.
What is the InChIKey of 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol?
The InChIKey is YHBGUMACPPZDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-8-4-11(17(2,3)24)10-5-9(6-12(19)15(10)22-8)14-13(20)7-21-16(18)23-14/h4-7,24H,1-3H3.
What are the key properties of 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol?
2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol has a molecular weight of 349.77 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol is sourced from PubChem (CID 163381282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).