7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H16FN3O2 — CID 136716961

IUPAC7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C20H16FN3O2/c21-15-8-6-13(7-9-15)18-22-17-12-24(11-10-16(17)19(25)23-18)20(26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,23,25)
InChIKeyDBDVKJZFOXFXCV-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.77
Rot. Bonds2

About 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136716961) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136716961
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C20H16FN3O2/c21-15-8-6-13(7-9-15)18-22-17-12-24(11-10-16(17)19(25)23-18)20(26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,23,25)
InChIKeyDBDVKJZFOXFXCV-UHFFFAOYSA-N
XLogP2.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzamido-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730633
9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730637
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1-methyl-6-oxo-2-phenylpyrimidin-5-yl)pentanamide
CID 44344798
N-benzyl-2-(4-fluorophenyl)-3-prop-2-enyl-4H-quinazoline-7-carboxamide
CID 45488845
N-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-oxo(3-hydroquinazolin-2-yl))methyl]p ropanamide
CID 135429080
2-[3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 136241633
(2-fluorophenyl)(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 801421
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide
CID 16426770
6-Benzyl-2-phenyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135466479

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136716961) is 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1ccccc1)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1.
What is the InChIKey of 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DBDVKJZFOXFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-15-8-6-13(7-9-15)18-22-17-12-24(11-10-16(17)19(25)23-18)20(26)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,23,25).
What are the key properties of 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 349.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-2-(4-fluorophenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136716961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).