6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H18FN3O3 — CID 135862215

IUPAC6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1coc3ccc(F)cc3c1=O)CC2
InChIInChI=1S/C23H18FN3O3/c24-16-6-7-20-17(10-16)21(28)15(13-30-20)11-27-9-8-19-18(12-27)23(29)26-22(25-19)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,25,26,29)
InChIKeyMAMQLOUMZNDQFH-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.24
Rot. Bonds3

About 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862215) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862215
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC Name6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1coc3ccc(F)cc3c1=O)CC2
InChIInChI=1S/C23H18FN3O3/c24-16-6-7-20-17(10-16)21(28)15(13-30-20)11-27-9-8-19-18(12-27)23(29)26-22(25-19)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,25,26,29)
InChIKeyMAMQLOUMZNDQFH-UHFFFAOYSA-N
XLogP3.24
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862215) is 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2c1CN(Cc1coc3ccc(F)cc3c1=O)CC2.
What is the InChIKey of 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MAMQLOUMZNDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-16-6-7-20-17(10-16)21(28)15(13-30-20)11-27-9-8-19-18(12-27)23(29)26-22(25-19)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,25,26,29).
What are the key properties of 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 403.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-4-oxochromen-3-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).