2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one

C19H20N2O3 — CID 168552065

IUPAC2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c1-3-4-12-24-17-14(9-7-11-16(17)23-2)18-20-15-10-6-5-8-13(15)19(22)21-18/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyUGSDLKWUGYGLOS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.78
Rot. Bonds6

About 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one

2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one (PubChem CID 168552065) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
PubChem CID168552065
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
SMILESCCCCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H20N2O3/c1-3-4-12-24-17-14(9-7-11-16(17)23-2)18-20-15-10-6-5-8-13(15)19(22)21-18/h5-11H,3-4,12H2,1-2H3,(H,20,21,22)
InChIKeyUGSDLKWUGYGLOS-UHFFFAOYSA-N
XLogP3.78
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
CID 168552428
2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-butoxy-3H-quinazolin-4-one
CID 136999718
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
2-(3,5-dibromo-2-propoxyphenyl)-3H-quinazolin-4-one
CID 168552568
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one (CID 168552065) is 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one is CCCCOc1c(OC)cccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one?
The InChIKey is UGSDLKWUGYGLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-4-12-24-17-14(9-7-11-16(17)23-2)18-20-15-10-6-5-8-13(15)19(22)21-18/h5-11H,3-4,12H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one?
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).