2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one

C20H24N2O2 — CID 54779593

IUPAC2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
SMILESCCCCCOc1cccc(C2(C)NC(=O)c3ccccc3N2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)20(2)21-18-12-6-5-11-17(18)19(23)22-20/h5-6,8-12,14,21H,3-4,7,13H2,1-2H3,(H,22,23)
InChIKeyCEVWLHHVTHMYAN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.28
Rot. Bonds6

About 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one

2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one (PubChem CID 54779593) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
PubChem CID54779593
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one
SMILESCCCCCOc1cccc(C2(C)NC(=O)c3ccccc3N2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)20(2)21-18-12-6-5-11-17(18)19(23)22-20/h5-6,8-12,14,21H,3-4,7,13H2,1-2H3,(H,22,23)
InChIKeyCEVWLHHVTHMYAN-UHFFFAOYSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 54779345
2-(3-butoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777854
2-methyl-2-(2-propoxyphenyl)-1,3-dihydroquinazolin-4-one
CID 54779481
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778423
7-(3-octadecoxyphenyl)-7-phenylbicyclo[4.1.0]hepta-1,3,5-triene
CID 70303959
1,3-dihexadecoxybenzene
CID 12686834
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
3-methyl-2-(3-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778278
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
3-butan-2-yl-2-[3-(2-ethoxyethoxy)phenyl]-2-methyl-1H-quinazolin-4-one
CID 54779210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one?
The IUPAC name of 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one (CID 54779593) is 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one?
The canonical SMILES for 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one is CCCCCOc1cccc(C2(C)NC(=O)c3ccccc3N2)c1.
What is the InChIKey of 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one?
The InChIKey is CEVWLHHVTHMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-7-13-24-16-10-8-9-15(14-16)20(2)21-18-12-6-5-11-17(18)19(23)22-20/h5-6,8-12,14,21H,3-4,7,13H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one?
2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-pentoxyphenyl)-1,3-dihydroquinazolin-4-one is sourced from PubChem (CID 54779593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).