[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol

C17H16ClFN4O — CID 176977018

IUPAC[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol
SMILESCC(C)c1c(CO)cnc2c(F)cc(-c3nc(N)ncc3Cl)cc12
InChIInChI=1S/C17H16ClFN4O/c1-8(2)14-10(7-24)5-21-16-11(14)3-9(4-13(16)19)15-12(18)6-22-17(20)23-15/h3-6,8,24H,7H2,1-2H3,(H2,20,22,23)
InChIKeyDKCDTIHIYDLXMP-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.68
Rot. Bonds3

About [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol

[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol (PubChem CID 176977018) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol
PubChem CID176977018
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol
SMILESCC(C)c1c(CO)cnc2c(F)cc(-c3nc(N)ncc3Cl)cc12
InChIInChI=1S/C17H16ClFN4O/c1-8(2)14-10(7-24)5-21-16-11(14)3-9(4-13(16)19)15-12(18)6-22-17(20)23-15/h3-6,8,24H,7H2,1-2H3,(H2,20,22,23)
InChIKeyDKCDTIHIYDLXMP-UHFFFAOYSA-N
XLogP3.68
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol?
The IUPAC name of [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol (CID 176977018) is [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol.
What is the SMILES notation for [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol?
The canonical SMILES for [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol is CC(C)c1c(CO)cnc2c(F)cc(-c3nc(N)ncc3Cl)cc12.
What is the InChIKey of [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol?
The InChIKey is DKCDTIHIYDLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-8(2)14-10(7-24)5-21-16-11(14)3-9(4-13(16)19)15-12(18)6-22-17(20)23-15/h3-6,8,24H,7H2,1-2H3,(H2,20,22,23).
What are the key properties of [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol?
[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol has a molecular weight of 346.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-5-chloropyrimidin-4-yl)-8-fluoro-4-propan-2-ylquinolin-3-yl]methanol is sourced from PubChem (CID 176977018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).