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

C20H15N3O2 — CID 136644293

IUPAC2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCc2cccc(-c3ccccc3)c2)nc2cnccc12
InChIInChI=1S/C20H15N3O2/c24-19-17-9-10-21-12-18(17)22-20(23-19)25-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-12H,13H2,(H,22,23,24)
InChIKeyQTDHXMBWHMETNH-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.56
Rot. Bonds4

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

2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136644293) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136644293
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCc2cccc(-c3ccccc3)c2)nc2cnccc12
InChIInChI=1S/C20H15N3O2/c24-19-17-9-10-21-12-18(17)22-20(23-19)25-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-12H,13H2,(H,22,23,24)
InChIKeyQTDHXMBWHMETNH-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136644293) is 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(OCc2cccc(-c3ccccc3)c2)nc2cnccc12.
What is the InChIKey of 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QTDHXMBWHMETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-17-9-10-21-12-18(17)22-20(23-19)25-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-12H,13H2,(H,22,23,24).
What are the key properties of 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136644293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).