2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one

C17H15N3O3 — CID 136639300

IUPAC2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCC2CCOc3ccccc32)nc2cnccc12
InChIInChI=1S/C17H15N3O3/c21-16-13-5-7-18-9-14(13)19-17(20-16)23-10-11-6-8-22-15-4-2-1-3-12(11)15/h1-5,7,9,11H,6,8,10H2,(H,19,20,21)
InChIKeyRNMXAMGZLXIKCD-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.26
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one

2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136639300) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136639300
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(OCC2CCOc3ccccc32)nc2cnccc12
InChIInChI=1S/C17H15N3O3/c21-16-13-5-7-18-9-14(13)19-17(20-16)23-10-11-6-8-22-15-4-2-1-3-12(11)15/h1-5,7,9,11H,6,8,10H2,(H,19,20,21)
InChIKeyRNMXAMGZLXIKCD-UHFFFAOYSA-N
XLogP2.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136639300) is 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(OCC2CCOc3ccccc32)nc2cnccc12.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RNMXAMGZLXIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-13-5-7-18-9-14(13)19-17(20-16)23-10-11-6-8-22-15-4-2-1-3-12(11)15/h1-5,7,9,11H,6,8,10H2,(H,19,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 309.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136639300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).