ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

C19H19FN4 — CID 142464341

IUPACethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCC.Cc1cnc2c(-c3ccnc4cc(F)c(C)cc34)cnn2c1
InChIInChI=1S/C17H13FN4.C2H6/c1-10-7-20-17-14(8-21-22(17)9-10)12-3-4-19-16-6-15(18)11(2)5-13(12)16;1-2/h3-9H,1-2H3;1-2H3
InChIKeySHMSFHHLIAANTC-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.73
Rot. Bonds1

About ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (PubChem CID 142464341) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.

Molecular Properties

Compound Nameethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
PubChem CID142464341
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Nameethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCC.Cc1cnc2c(-c3ccnc4cc(F)c(C)cc34)cnn2c1
InChIInChI=1S/C17H13FN4.C2H6/c1-10-7-20-17-14(8-21-22(17)9-10)12-3-4-19-16-6-15(18)11(2)5-13(12)16;1-2/h3-9H,1-2H3;1-2H3
InChIKeySHMSFHHLIAANTC-UHFFFAOYSA-N
XLogP4.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The IUPAC name of ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (CID 142464341) is ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.
What is the SMILES notation for ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The canonical SMILES for ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is CC.Cc1cnc2c(-c3ccnc4cc(F)c(C)cc34)cnn2c1.
What is the InChIKey of ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The InChIKey is SHMSFHHLIAANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4.C2H6/c1-10-7-20-17-14(8-21-22(17)9-10)12-3-4-19-16-6-15(18)11(2)5-13(12)16;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline has a molecular weight of 322.39 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-6-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is sourced from PubChem (CID 142464341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).