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

C23H20N4O2 — CID 145046684

IUPAC2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCc1ccc2c(c1)CCN2c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cc1
InChIInChI=1S/C23H20N4O2/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/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,26,28)
InChIKeyYYIPVBUYENULNY-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.37
Rot. Bonds4

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

2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 145046684) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID145046684
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCc1ccc2c(c1)CCN2c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cc1
InChIInChI=1S/C23H20N4O2/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/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,26,28)
InChIKeyYYIPVBUYENULNY-UHFFFAOYSA-N
XLogP4.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 145046684) is 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is CCc1ccc2c(c1)CCN2c1ccc(Oc2nc3cnccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YYIPVBUYENULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/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/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,26,28).
What are the key properties of 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 145046684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).