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

C20H17FN2O2 — CID 162667482

IUPAC2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3cccc(F)c3)=NC1O2
InChIInChI=1S/C20H17FN2O2/c1-11(2)12-6-7-17-14(8-12)10-16-19(24)22-18(23-20(16)25-17)13-4-3-5-15(21)9-13/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeyNCKTZMAMZSZJIA-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.63
Rot. Bonds2

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

2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162667482) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162667482
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3cccc(F)c3)=NC1O2
InChIInChI=1S/C20H17FN2O2/c1-11(2)12-6-7-17-14(8-12)10-16-19(24)22-18(23-20(16)25-17)13-4-3-5-15(21)9-13/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeyNCKTZMAMZSZJIA-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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Related Compounds

9-(4-hydroxyphenyl)-7a,10-dihydro-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-one
CID 135572401
2-(4-Hydroxy-3-methoxyphenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162645813
7-Propan-2-yl-2-thiophen-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162646550
2-(2-Fluoro-4-hydroxyphenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162648991
7-Ethyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162649691
2-Phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162650188
2-(4-Fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162651744
7-Tert-butyl-2-(4-hydroxyphenyl)-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162654058
2-(4-Methylphenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162654262
2-(4-Hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162654277
2-(3-Methoxyphenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162654432
2-(3-Fluoro-4-hydroxyphenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 162659105

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162667482) is 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3cccc(F)c3)=NC1O2.
What is the InChIKey of 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is NCKTZMAMZSZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-11(2)12-6-7-17-14(8-12)10-16-19(24)22-18(23-20(16)25-17)13-4-3-5-15(21)9-13/h3-11,20H,1-2H3,(H,22,23,24).
What are the key properties of 2-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(3-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-(3-fluorophenyl)-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162667482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).