2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

C24H20N4O2 — CID 166924304

IUPAC2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESC=C(C)c1cccc(N2CCc3cc(Oc4nc5cnccc5c(=O)[nH]4)ccc32)c1
InChIInChI=1S/C24H20N4O2/c1-15(2)16-4-3-5-18(12-16)28-11-9-17-13-19(6-7-22(17)28)30-24-26-21-14-25-10-8-20(21)23(29)27-24/h3-8,10,12-14H,1,9,11H2,2H3,(H,26,27,29)
InChIKeyQBYQOUSTLFNRCF-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.84
Rot. Bonds4

About 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 166924304) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID166924304
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESC=C(C)c1cccc(N2CCc3cc(Oc4nc5cnccc5c(=O)[nH]4)ccc32)c1
InChIInChI=1S/C24H20N4O2/c1-15(2)16-4-3-5-18(12-16)28-11-9-17-13-19(6-7-22(17)28)30-24-26-21-14-25-10-8-20(21)23(29)27-24/h3-8,10,12-14H,1,9,11H2,2H3,(H,26,27,29)
InChIKeyQBYQOUSTLFNRCF-UHFFFAOYSA-N
XLogP4.84
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002340
2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953306
2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046684
2-[(2-benzoyl-1,3-dihydroisoindol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953408
2-[(1-benzyl-2-methyl-3H-indazol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 167068030
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953399
2-[3-methyl-4-[N-methyl-3-(4-methylpiperazin-1-yl)anilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137051832
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002268
2-[4-[2-(3-methoxyphenyl)-3-methylbut-3-en-2-yl]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 166924455
2-[2-(4-iodobenzoyl)-1-methylindol-5-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137014299
2-[[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953380
2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002388

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 166924304) is 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is C=C(C)c1cccc(N2CCc3cc(Oc4nc5cnccc5c(=O)[nH]4)ccc32)c1.
What is the InChIKey of 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QBYQOUSTLFNRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15(2)16-4-3-5-18(12-16)28-11-9-17-13-19(6-7-22(17)28)30-24-26-21-14-25-10-8-20(21)23(29)27-24/h3-8,10,12-14H,1,9,11H2,2H3,(H,26,27,29).
What are the key properties of 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 396.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-prop-1-en-2-ylphenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166924304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).