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

C30H28N2O2 — CID 54780145

IUPAC2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
SMILESCC1(c2ccc(OCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H28N2O2/c1-30(25-16-18-26(19-17-25)34-22-24-12-6-3-7-13-24)31-28-15-9-8-14-27(28)29(33)32(30)21-20-23-10-4-2-5-11-23/h2-19,31H,20-22H2,1H3
InChIKeyNLZQTSBPRIYSJN-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.25
Rot. Bonds7

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

2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one (PubChem CID 54780145) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
PubChem CID54780145
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
SMILESCC1(c2ccc(OCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C30H28N2O2/c1-30(25-16-18-26(19-17-25)34-22-24-12-6-3-7-13-24)31-28-15-9-8-14-27(28)29(33)32(30)21-20-23-10-4-2-5-11-23/h2-19,31H,20-22H2,1H3
InChIKeyNLZQTSBPRIYSJN-UHFFFAOYSA-N
XLogP6.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.25
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
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
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-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-benzyl-2-methyl-2-[4-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54779256
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
3-ethyl-2-methyl-2-(4-prop-2-enoxyphenyl)-1H-quinazolin-4-one
CID 54780173
3-butyl-2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1H-quinazolin-4-one
CID 54780126

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one (CID 54780145) is 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one is CC1(c2ccc(OCc3ccccc3)cc2)Nc2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is NLZQTSBPRIYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-30(25-16-18-26(19-17-25)34-22-24-12-6-3-7-13-24)31-28-15-9-8-14-27(28)29(33)32(30)21-20-23-10-4-2-5-11-23/h2-19,31H,20-22H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one?
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 448.57 g/mol, XLogP of 6.25, 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-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54780145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).