3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

C16H18N2O2S — CID 46515563

IUPAC3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1ccc(C)s1
InChIInChI=1S/C16H18N2O2S/c1-11-7-8-14(21-11)15-17-13-6-4-3-5-12(13)16(19)18(15)9-10-20-2/h3-8,15,17H,9-10H2,1-2H3
InChIKeyJEZMOQSYCDZTLC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.27
Rot. Bonds4

About 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 46515563) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID46515563
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1c1ccc(C)s1
InChIInChI=1S/C16H18N2O2S/c1-11-7-8-14(21-11)15-17-13-6-4-3-5-12(13)16(19)18(15)9-10-20-2/h3-8,15,17H,9-10H2,1-2H3
InChIKeyJEZMOQSYCDZTLC-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
2-(5-methylthiophen-2-yl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 17461328
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778638
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
(2S)-2-(5-methylthiophen-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198775
(2R)-2-(5-methylthiophen-2-yl)-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41198777
3-(2-methoxyethyl)-2-(4-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778813
(2S)-2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006896
2-(2H-chromen-3-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515545
(2R)-3-(2-methoxyethyl)-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 25415336

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 46515563) is 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1c1ccc(C)s1.
What is the InChIKey of 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JEZMOQSYCDZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-7-8-14(21-11)15-17-13-6-4-3-5-12(13)16(19)18(15)9-10-20-2/h3-8,15,17H,9-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 302.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 46515563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).