7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

C19H19FN4O2 — CID 119067930

IUPAC7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc(C2CCOC2)n1
InChIInChI=1S/C19H19FN4O2/c1-11-22-17(13-4-5-26-10-13)8-18(23-11)21-9-14-6-12-2-3-15(20)7-16(12)24-19(14)25/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOSWGEUQOGXCZPB-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.88
Rot. Bonds4

About 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (PubChem CID 119067930) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
PubChem CID119067930
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
SMILESCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc(C2CCOC2)n1
InChIInChI=1S/C19H19FN4O2/c1-11-22-17(13-4-5-26-10-13)8-18(23-11)21-9-14-6-12-2-3-15(20)7-16(12)24-19(14)25/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOSWGEUQOGXCZPB-UHFFFAOYSA-N
XLogP2.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one (CID 119067930) is 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is Cc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc(C2CCOC2)n1.
What is the InChIKey of 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is OSWGEUQOGXCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-22-17(13-4-5-26-10-13)8-18(23-11)21-9-14-6-12-2-3-15(20)7-16(12)24-19(14)25/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 354.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 119067930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).