2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

C16H15N3O2 — CID 135433829

IUPAC2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1
InChIInChI=1S/C16H15N3O2/c1-2-9-21-14-6-4-3-5-11(14)15-18-13-7-8-17-10-12(13)16(20)19-15/h3-8,10H,2,9H2,1H3,(H,18,19,20)
InChIKeyTZSPLARREHCKFL-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one

2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135433829) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135433829
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1
InChIInChI=1S/C16H15N3O2/c1-2-9-21-14-6-4-3-5-11(14)15-18-13-7-8-17-10-12(13)16(20)19-15/h3-8,10H,2,9H2,1H3,(H,18,19,20)
InChIKeyTZSPLARREHCKFL-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135433829) is 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TZSPLARREHCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-9-21-14-6-4-3-5-11(14)15-18-13-7-8-17-10-12(13)16(20)19-15/h3-8,10H,2,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135433829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).