4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

C18H14N2O2 — CID 44606008

IUPAC4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESCOc1cccc(-c2nc(=O)[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C18H14N2O2/c1-22-13-7-4-6-12(9-13)16-15-10-11-5-2-3-8-14(11)17(15)20-18(21)19-16/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyHCSVKCOHFRFGQH-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.02
Rot. Bonds2

About 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one

4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (PubChem CID 44606008) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
PubChem CID44606008
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one
SMILESCOc1cccc(-c2nc(=O)[nH]c3c2Cc2ccccc2-3)c1
InChIInChI=1S/C18H14N2O2/c1-22-13-7-4-6-12(9-13)16-15-10-11-5-2-3-8-14(11)17(15)20-18(21)19-16/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyHCSVKCOHFRFGQH-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The IUPAC name of 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one (CID 44606008) is 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is COc1cccc(-c2nc(=O)[nH]c3c2Cc2ccccc2-3)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
The InChIKey is HCSVKCOHFRFGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-13-7-4-6-12(9-13)16-15-10-11-5-2-3-8-14(11)17(15)20-18(21)19-16/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one?
4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one has a molecular weight of 290.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1,5-dihydroindeno[1,2-d]pyrimidin-2-one is sourced from PubChem (CID 44606008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).