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

C21H20N2OS — CID 54778517

IUPAC2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
SMILESCC1(c2cccs2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H20N2OS/c1-21(19-12-7-15-25-19)22-18-11-6-5-10-17(18)20(24)23(21)14-13-16-8-3-2-4-9-16/h2-12,15,22H,13-14H2,1H3
InChIKeyIYZPOXUXHMRUFG-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.73
Rot. Bonds4

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

2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one (PubChem CID 54778517) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
PubChem CID54778517
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
SMILESCC1(c2cccs2)Nc2ccccc2C(=O)N1CCc1ccccc1
InChIInChI=1S/C21H20N2OS/c1-21(19-12-7-15-25-19)22-18-11-6-5-10-17(18)20(24)23(21)14-13-16-8-3-2-4-9-16/h2-12,15,22H,13-14H2,1H3
InChIKeyIYZPOXUXHMRUFG-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.73
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-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778568
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
2-methyl-2-phenyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779677
3-butyl-2-methyl-2-(4-methylphenyl)-1H-quinazolin-4-one
CID 54778482
2-methyl-2-[2-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1H-quinazolin-4-one
CID 54780843
6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
CID 4984545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one?
The IUPAC name of 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one (CID 54778517) is 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one is CC1(c2cccs2)Nc2ccccc2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one?
The InChIKey is IYZPOXUXHMRUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-21(19-12-7-15-25-19)22-18-11-6-5-10-17(18)20(24)23(21)14-13-16-8-3-2-4-9-16/h2-12,15,22H,13-14H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one?
2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one has a molecular weight of 348.47 g/mol, XLogP of 4.73, 4 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-thiophen-2-yl-1H-quinazolin-4-one is sourced from PubChem (CID 54778517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).