7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H15N3O — CID 175687237

IUPAC7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C1NC=NC2=CN(Cc3ccccc3)CCC12
InChIInChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2,(H,15,16,18)
InChIKeyLLQATABALSKBAZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.51
Rot. Bonds2

About 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 175687237) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID175687237
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C1NC=NC2=CN(Cc3ccccc3)CCC12
InChIInChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2,(H,15,16,18)
InChIKeyLLQATABALSKBAZ-UHFFFAOYSA-N
XLogP1.51
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-benzyl-3,4a,5,6-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

2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
CID 10733595
7-benzyl-4,4a,5,6-tetrahydro-1H-pyrido[3,4-d]pyrimidine
CID 90980384
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
ethyl 5-amino-1-benzyl-3,4-dihydro-2H-pyridine-4-carboxylate
CID 91161439
(5Z,7E)-1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-azocine-7-carboxylic acid
CID 102466005
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 175687237) is 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C1NC=NC2=CN(Cc3ccccc3)CCC12.
What is the InChIKey of 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LLQATABALSKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2,(H,15,16,18).
What are the key properties of 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 241.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3,4a,5,6-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 175687237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).