2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one

C19H22N2O3 — CID 649192

IUPAC2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC
InChIInChI=1S/C19H22N2O3/c1-4-11-21-18(15-10-9-13(23-2)12-17(15)24-3)20-16-8-6-5-7-14(16)19(21)22/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyLPYJMGCDGWUASB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.68
Rot. Bonds5

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

2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 649192) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID649192
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC
InChIInChI=1S/C19H22N2O3/c1-4-11-21-18(15-10-9-13(23-2)12-17(15)24-3)20-16-8-6-5-7-14(16)19(21)22/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyLPYJMGCDGWUASB-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one (CID 649192) is 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LPYJMGCDGWUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-11-21-18(15-10-9-13(23-2)12-17(15)24-3)20-16-8-6-5-7-14(16)19(21)22/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one?
2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).