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

C23H18N4O2 — CID 136953455

IUPAC2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCc1ccc2c(ccn2-c2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2)c1
InChIInChI=1S/C23H18N4O2/c1-2-15-3-8-21-16(13-15)10-12-27(21)17-4-6-18(7-5-17)29-23-25-20-14-24-11-9-19(20)22(28)26-23/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyZBHHCAZAXBMOTH-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.62
Rot. Bonds4

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

2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953455) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953455
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCc1ccc2c(ccn2-c2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2)c1
InChIInChI=1S/C23H18N4O2/c1-2-15-3-8-21-16(13-15)10-12-27(21)17-4-6-18(7-5-17)29-23-25-20-14-24-11-9-19(20)22(28)26-23/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyZBHHCAZAXBMOTH-UHFFFAOYSA-N
XLogP4.62
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953455) is 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is CCc1ccc2c(ccn2-c2ccc(Oc3nc4cnccc4c(=O)[nH]3)cc2)c1.
What is the InChIKey of 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZBHHCAZAXBMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-2-15-3-8-21-16(13-15)10-12-27(21)17-4-6-18(7-5-17)29-23-25-20-14-24-11-9-19(20)22(28)26-23/h3-14H,2H2,1H3,(H,25,26,28).
What are the key properties of 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 382.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).