2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C19H16FN3O2 — CID 22516124

IUPAC2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1
InChIInChI=1S/C19H16FN3O2/c1-23(2)14-6-3-11(4-7-14)17-21-18(24)15-10-12-9-13(20)5-8-16(12)25-19(15)22-17/h3-9H,10H2,1-2H3,(H,21,22,24)
InChIKeyGODNAGGAHVTJCP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.34
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22516124) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22516124
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1
InChIInChI=1S/C19H16FN3O2/c1-23(2)14-6-3-11(4-7-14)17-21-18(24)15-10-12-9-13(20)5-8-16(12)25-19(15)22-17/h3-9H,10H2,1-2H3,(H,21,22,24)
InChIKeyGODNAGGAHVTJCP-UHFFFAOYSA-N
XLogP3.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22516124) is 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is CN(C)c1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(F)ccc2O3)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is GODNAGGAHVTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-23(2)14-6-3-11(4-7-14)17-21-18(24)15-10-12-9-13(20)5-8-16(12)25-19(15)22-17/h3-9H,10H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 337.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-7-fluoro-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22516124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).