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

C21H16N4O2 — CID 136953399

IUPAC2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc(N3Cc4ccccc4C3)cc2)nc2cnccc12
InChIInChI=1S/C21H16N4O2/c26-20-18-9-10-22-11-19(18)23-21(24-20)27-17-7-5-16(6-8-17)25-12-14-3-1-2-4-15(14)13-25/h1-11H,12-13H2,(H,23,24,26)
InChIKeyAWXGPORJTAMAGS-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.63
Rot. Bonds3

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

2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953399) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953399
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc(N3Cc4ccccc4C3)cc2)nc2cnccc12
InChIInChI=1S/C21H16N4O2/c26-20-18-9-10-22-11-19(18)23-21(24-20)27-17-7-5-16(6-8-17)25-12-14-3-1-2-4-15(14)13-25/h1-11H,12-13H2,(H,23,24,26)
InChIKeyAWXGPORJTAMAGS-UHFFFAOYSA-N
XLogP3.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-benzoyl-1,3-dihydroisoindol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953408
2-[(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002340
2-[4-(4-methylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953216
2-[(1-benzyl-2-methyl-3H-indazol-5-yl)oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 167068030
2-[4-(5-ethyl-2,3-dihydroindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046684
2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953306
2-(1-methylindol-5-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002268
2-[4-[methyl(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)amino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002334
2-[4-(5-ethylindol-1-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953455
2-[4-[(3-methoxyphenyl)methyl]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046641
2-(1-benzylindazol-6-yl)oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137002388
2-[4-[4-(difluoromethoxy)-N-methylanilino]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953399) is 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc(N3Cc4ccccc4C3)cc2)nc2cnccc12.
What is the InChIKey of 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AWXGPORJTAMAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20-18-9-10-22-11-19(18)23-21(24-20)27-17-7-5-16(6-8-17)25-12-14-3-1-2-4-15(14)13-25/h1-11H,12-13H2,(H,23,24,26).
What are the key properties of 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 356.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).