2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one

C16H12N4O2 — CID 137002268

IUPAC2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc2cc(Oc3nc4cnccc4c(=O)[nH]3)ccc21
InChIInChI=1S/C16H12N4O2/c1-20-7-5-10-8-11(2-3-14(10)20)22-16-18-13-9-17-6-4-12(13)15(21)19-16/h2-9H,1H3,(H,18,19,21)
InChIKeyOGJOQXKCDODHAH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.60
Rot. Bonds2

About 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one

2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137002268) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137002268
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc2cc(Oc3nc4cnccc4c(=O)[nH]3)ccc21
InChIInChI=1S/C16H12N4O2/c1-20-7-5-10-8-11(2-3-14(10)20)22-16-18-13-9-17-6-4-12(13)15(21)19-16/h2-9H,1H3,(H,18,19,21)
InChIKeyOGJOQXKCDODHAH-UHFFFAOYSA-N
XLogP2.60
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137002268) is 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one is Cn1ccc2cc(Oc3nc4cnccc4c(=O)[nH]3)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OGJOQXKCDODHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-20-7-5-10-8-11(2-3-14(10)20)22-16-18-13-9-17-6-4-12(13)15(21)19-16/h2-9H,1H3,(H,18,19,21).
What are the key properties of 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 292.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).