2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H17FN2O2 — CID 162651744

IUPAC2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(F)cc3)=NC1O2
InChIInChI=1S/C20H17FN2O2/c1-11(2)13-5-8-17-14(9-13)10-16-19(24)22-18(23-20(16)25-17)12-3-6-15(21)7-4-12/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeyGXPTXIVZKWZOJL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.63
Rot. Bonds2

About 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162651744) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162651744
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(F)cc3)=NC1O2
InChIInChI=1S/C20H17FN2O2/c1-11(2)13-5-8-17-14(9-13)10-16-19(24)22-18(23-20(16)25-17)12-3-6-15(21)7-4-12/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeyGXPTXIVZKWZOJL-UHFFFAOYSA-N
XLogP3.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162651744) is 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(F)cc3)=NC1O2.
What is the InChIKey of 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is GXPTXIVZKWZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-11(2)13-5-8-17-14(9-13)10-16-19(24)22-18(23-20(16)25-17)12-3-6-15(21)7-4-12/h3-11,20H,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 336.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162651744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).