3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C20H24N2O5 — CID 54778763

IUPAC3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-24-10-9-22-19(21-15-8-6-5-7-14(15)20(22)23)13-11-16(25-2)18(27-4)17(12-13)26-3/h5-8,11-12,19,21H,9-10H2,1-4H3
InChIKeyFNGJZYSEVSVGDP-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.93
Rot. Bonds7

About 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54778763) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54778763
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-24-10-9-22-19(21-15-8-6-5-7-14(15)20(22)23)13-11-16(25-2)18(27-4)17(12-13)26-3/h5-8,11-12,19,21H,9-10H2,1-4H3
InChIKeyFNGJZYSEVSVGDP-UHFFFAOYSA-N
XLogP2.93
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54778763) is 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FNGJZYSEVSVGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-10-9-22-19(21-15-8-6-5-7-14(15)20(22)23)13-11-16(25-2)18(27-4)17(12-13)26-3/h5-8,11-12,19,21H,9-10H2,1-4H3.
What are the key properties of 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 372.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54778763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).