2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C20H20N2O3 — CID 46515545

IUPAC2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1C1=Cc2ccccc2OC1
InChIInChI=1S/C20H20N2O3/c1-24-11-10-22-19(21-17-8-4-3-7-16(17)20(22)23)15-12-14-6-2-5-9-18(14)25-13-15/h2-9,12,19,21H,10-11,13H2,1H3
InChIKeyLJTZUSCQUFOTFB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.00
Rot. Bonds4

About 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 46515545) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID46515545
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1C1=Cc2ccccc2OC1
InChIInChI=1S/C20H20N2O3/c1-24-11-10-22-19(21-17-8-4-3-7-16(17)20(22)23)15-12-14-6-2-5-9-18(14)25-13-15/h2-9,12,19,21H,10-11,13H2,1H3
InChIKeyLJTZUSCQUFOTFB-UHFFFAOYSA-N
XLogP3.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 46515545) is 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1C1=Cc2ccccc2OC1.
What is the InChIKey of 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is LJTZUSCQUFOTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-11-10-22-19(21-17-8-4-3-7-16(17)20(22)23)15-12-14-6-2-5-9-18(14)25-13-15/h2-9,12,19,21H,10-11,13H2,1H3.
What are the key properties of 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 46515545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).