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

C20H20N4O2 — CID 135864850

IUPAC7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1
InChIInChI=1S/C20H20N4O2/c1-26-18-8-3-2-6-14(18)12-24-11-9-15-17(13-24)22-19(23-20(15)25)16-7-4-5-10-21-16/h2-8,10H,9,11-13H2,1H3,(H,22,23,25)
InChIKeyQBEWZEQQMHHLNL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds4

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

7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864850) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864850
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1
InChIInChI=1S/C20H20N4O2/c1-26-18-8-3-2-6-14(18)12-24-11-9-15-17(13-24)22-19(23-20(15)25)16-7-4-5-10-21-16/h2-8,10H,9,11-13H2,1H3,(H,22,23,25)
InChIKeyQBEWZEQQMHHLNL-UHFFFAOYSA-N
XLogP2.40
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864850) is 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccccc1CN1CCc2c(nc(-c3ccccn3)[nH]c2=O)C1.
What is the InChIKey of 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QBEWZEQQMHHLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-8-3-2-6-14(18)12-24-11-9-15-17(13-24)22-19(23-20(15)25)16-7-4-5-10-21-16/h2-8,10H,9,11-13H2,1H3,(H,22,23,25).
What are the key properties of 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyphenyl)methyl]-2-pyridin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).