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

C22H20FN3O2 — CID 156601803

IUPAC2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1C(=O)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20FN3O2/c1-14-5-2-3-8-17(14)22(28)26-10-9-19-18(13-26)21(27)25-20(24-19)12-15-6-4-7-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyDSQUTLHYMFOZCO-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.01
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 156601803) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID156601803
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1C(=O)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C22H20FN3O2/c1-14-5-2-3-8-17(14)22(28)26-10-9-19-18(13-26)21(27)25-20(24-19)12-15-6-4-7-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27)
InChIKeyDSQUTLHYMFOZCO-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

ME0328
CID 135566764
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-{3-[4-phenyl-3,6-dihydro-1(2H)-pyridinyl]propyl}-4(3H)-quinazolinone
CID 135440318
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-Phenylpropyl]propanamide
CID 135566841
2-[3-(1,4,5,6-Tetrahydro-2H-benzo[f]isoquinolin-3-yl)-propyl]-3H-quinazolin-4-one
CID 135443460
2-(3-(4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-yl)propyl)quinazolin-4(3H)-one
CID 135448200
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799353
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799373
2-{3-[4-(3-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135405818
N-cyclopentyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135417630

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 156601803) is 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1C(=O)N1CCc2nc(Cc3cccc(F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DSQUTLHYMFOZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-5-2-3-8-17(14)22(28)26-10-9-19-18(13-26)21(27)25-20(24-19)12-15-6-4-7-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,24,25,27).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 377.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-(2-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 156601803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).