3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C18H16N4O2 — CID 167942471

IUPAC3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(CCn2c(=O)[nH]c3cccnc3c2=O)c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-21-11-12(13-5-2-3-7-15(13)21)8-10-22-17(23)16-14(20-18(22)24)6-4-9-19-16/h2-7,9,11H,8,10H2,1H3,(H,20,24)
InChIKeyFKENDGWZBFZLDS-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.82
Rot. Bonds3

About 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione

3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 167942471) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID167942471
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(CCn2c(=O)[nH]c3cccnc3c2=O)c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-21-11-12(13-5-2-3-7-15(13)21)8-10-22-17(23)16-14(20-18(22)24)6-4-9-19-16/h2-7,9,11H,8,10H2,1H3,(H,20,24)
InChIKeyFKENDGWZBFZLDS-UHFFFAOYSA-N
XLogP1.82
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 167942471) is 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is Cn1cc(CCn2c(=O)[nH]c3cccnc3c2=O)c2ccccc21.
What is the InChIKey of 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is FKENDGWZBFZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-21-11-12(13-5-2-3-7-15(13)21)8-10-22-17(23)16-14(20-18(22)24)6-4-9-19-16/h2-7,9,11H,8,10H2,1H3,(H,20,24).
What are the key properties of 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylindol-3-yl)ethyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167942471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).