2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one

C26H28N2O2 — CID 54779214

IUPAC2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
SMILESCCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-18-30-22-13-9-12-21(19-22)26(2)27-24-15-8-7-14-23(24)25(29)28(26)17-16-20-10-5-4-6-11-20/h4-15,19,27H,3,16-18H2,1-2H3
InChIKeyVQOISEGBBIQJJB-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.46
Rot. Bonds7

About 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one

2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one (PubChem CID 54779214) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
PubChem CID54779214
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
SMILESCCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-18-30-22-13-9-12-21(19-22)26(2)27-24-15-8-7-14-23(24)25(29)28(26)17-16-20-10-5-4-6-11-20/h4-15,19,27H,3,16-18H2,1-2H3
InChIKeyVQOISEGBBIQJJB-UHFFFAOYSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
2-[3-(2-ethoxyethoxy)phenyl]-3-(3-methoxypropyl)-2-methyl-1H-quinazolin-4-one
CID 54778725
2-(3-butoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777854
2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778423
3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54777990
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-methyl-2-[3-(oxolan-2-ylmethoxy)phenyl]-3-propyl-1H-quinazolin-4-one
CID 54777762
2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778568
2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
CID 54778517
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-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one (CID 54779214) is 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one is CCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c1.
What is the InChIKey of 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is VQOISEGBBIQJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-18-30-22-13-9-12-21(19-22)26(2)27-24-15-8-7-14-23(24)25(29)28(26)17-16-20-10-5-4-6-11-20/h4-15,19,27H,3,16-18H2,1-2H3.
What are the key properties of 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one?
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 400.52 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54779214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).