8H-pyrido[3,4-d]pyrimidin-4-one

C7H5N3O — CID 150075196

IUPAC8H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1N=CN=C2CN=CC=C12
InChIInChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-2,4H,3H2
InChIKeyDQCOAWUMBQWQBG-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.01
Rot. Bonds

About 8H-pyrido[3,4-d]pyrimidin-4-one

8H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 150075196) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 8H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID150075196
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name8H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1N=CN=C2CN=CC=C12
InChIInChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-2,4H,3H2
InChIKeyDQCOAWUMBQWQBG-UHFFFAOYSA-N
XLogP0.01
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8H-pyrido[3,4-d]pyrimidin-4-one (CID 150075196) is 8H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8H-pyrido[3,4-d]pyrimidin-4-one is O=C1N=CN=C2CN=CC=C12.
What is the InChIKey of 8H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is DQCOAWUMBQWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-2,4H,3H2.
What are the key properties of 8H-pyrido[3,4-d]pyrimidin-4-one?
8H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 147.14 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 150075196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).