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

C20H24N2O4 — CID 2888615

IUPAC3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h6-9,11-12,19,21H,5,10H2,1-4H3
InChIKeyIFOOIDNTGRAANH-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.69
Rot. Bonds6

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

3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2888615) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2888615
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h6-9,11-12,19,21H,5,10H2,1-4H3
InChIKeyIFOOIDNTGRAANH-UHFFFAOYSA-N
XLogP3.69
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 2888615) is 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is IFOOIDNTGRAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h6-9,11-12,19,21H,5,10H2,1-4H3.
What are the key properties of 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 356.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).