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

C25H26N2O3 — CID 54778568

IUPAC2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-25(21-14-13-19(29-2)17-23(21)30-3)26-22-12-8-7-11-20(22)24(28)27(25)16-15-18-9-5-4-6-10-18/h4-14,17,26H,15-16H2,1-3H3
InChIKeyZKDTWVKJQOIFOH-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.69
Rot. Bonds6

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

2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one (PubChem CID 54778568) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
PubChem CID54778568
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
SMILESCOc1ccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1
InChIInChI=1S/C25H26N2O3/c1-25(21-14-13-19(29-2)17-23(21)30-3)26-22-12-8-7-11-20(22)24(28)27(25)16-15-18-9-5-4-6-10-18/h4-14,17,26H,15-16H2,1-3H3
InChIKeyZKDTWVKJQOIFOH-UHFFFAOYSA-N
XLogP4.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
CID 4984545
2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
CID 54778517
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
2-methyl-2-[2-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1H-quinazolin-4-one
CID 54780843
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
3-benzyl-2-methyl-2-(2-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779290
3-(3-methoxypropyl)-2-methyl-2-(2-propoxyphenyl)-1H-quinazolin-4-one
CID 54778619

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one (CID 54778568) is 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one is COc1ccc(C2(C)Nc3ccccc3C(=O)N2CCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
The InChIKey is ZKDTWVKJQOIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(21-14-13-19(29-2)17-23(21)30-3)26-22-12-8-7-11-20(22)24(28)27(25)16-15-18-9-5-4-6-10-18/h4-14,17,26H,15-16H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one?
2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one has a molecular weight of 402.49 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).