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

C23H22FN3O2 — CID 135619353

IUPAC6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H22FN3O2/c1-15-4-2-3-5-17(15)13-21-25-20-10-11-27(14-19(20)23(29)26-21)22(28)12-16-6-8-18(24)9-7-16/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKeyHYIYWSDVIAWLNW-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.94
Rot. Bonds4

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

6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135619353) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135619353
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H22FN3O2/c1-15-4-2-3-5-17(15)13-21-25-20-10-11-27(14-19(20)23(29)26-21)22(28)12-16-6-8-18(24)9-7-16/h2-9H,10-14H2,1H3,(H,25,26,29)
InChIKeyHYIYWSDVIAWLNW-UHFFFAOYSA-N
XLogP2.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
6-Methyl-5-phenyl-2-((E)-styryl)-3H-pyrimidin-4-one
CID 135517050
6-methyl-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135960847
2-Diethylaminomethyl-5,5-diethyl-5,6-dihydro-3H-benzo[h]quinazolin-4-one
CID 135516039
2-[(Dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135449502
9-fluoro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838103
2-[(Dimethylamino)methyl]-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135500927
3-Methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838122
2-{6-Benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL}-N-[(4-fluorophenyl)methyl]acetamide
CID 53143455
2-{6-Benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL}-N-[(2-fluorophenyl)methyl]acetamide
CID 53143472
2-[6-Benzyl-4-oxo-2-(propan-2-YL)-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53143482

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135619353) is 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1Cc1nc2c(c(=O)[nH]1)CN(C(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HYIYWSDVIAWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-15-4-2-3-5-17(15)13-21-25-20-10-11-27(14-19(20)23(29)26-21)22(28)12-16-6-8-18(24)9-7-16/h2-9H,10-14H2,1H3,(H,25,26,29).
What are the key properties of 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 391.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)acetyl]-2-[(2-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135619353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).