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

C16H18FN3O2 — CID 135864523

IUPAC7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3c(nc(C)[nH]c3=O)C2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-10-18-15-9-20(6-5-13(15)16(21)19-10)8-11-3-4-12(22-2)7-14(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19,21)
InChIKeyUBQCTHAETHDJDT-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.78
Rot. Bonds3

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

7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864523) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864523
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(CN2CCc3c(nc(C)[nH]c3=O)C2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-10-18-15-9-20(6-5-13(15)16(21)19-10)8-11-3-4-12(22-2)7-14(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19,21)
InChIKeyUBQCTHAETHDJDT-UHFFFAOYSA-N
XLogP1.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 135981189
7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-5-methyl-1H-pyrimidin-6-one
CID 137175147
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620
N-(4-methoxybenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010492
2-(4-Ethoxybenzyl)-6-methyl-5-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-ol
CID 135420399
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
N-(3,5-difluorophenyl)-2-(4-methoxyphenyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 136112287

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864523) is 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(CN2CCc3c(nc(C)[nH]c3=O)C2)c(F)c1.
What is the InChIKey of 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UBQCTHAETHDJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-18-15-9-20(6-5-13(15)16(21)19-10)8-11-3-4-12(22-2)7-14(11)17/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 303.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).