3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one

C23H20N4O2S — CID 2104690

IUPAC3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
SMILESCN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C23H20N4O2S/c1-26(2)12-21-24-17-9-5-4-8-16(17)23(28)27(21)13-22-25-18(14-30-22)20-11-15-7-3-6-10-19(15)29-20/h3-11,14H,12-13H2,1-2H3
InChIKeyUTVJAJZRXFBKKN-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.38
Rot. Bonds5

About 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one

3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one (PubChem CID 2104690) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
PubChem CID2104690
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one
SMILESCN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C23H20N4O2S/c1-26(2)12-21-24-17-9-5-4-8-16(17)23(28)27(21)13-22-25-18(14-30-22)20-11-15-7-3-6-10-19(15)29-20/h3-11,14H,12-13H2,1-2H3
InChIKeyUTVJAJZRXFBKKN-UHFFFAOYSA-N
XLogP4.38
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one with MolForge

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Related Compounds

1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
2-[1-(3a,7a-dihydro-1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 155548816
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 2470878
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-methyl-N-pyridin-4-ylacetamide
CID 166630923
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 166631419
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-phenylacetamide
CID 166633433
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(3-methoxyphenyl)methyl]acetamide
CID 49790215
1-(2,3-dihydro-1H-indol-1-yl)-2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
CID 665291
3-[[4-(4-Ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 2123828
2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-3-(furan-2-ylmethyl)quinazolin-4-one
CID 2489851
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
CID 49778152
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 49790746

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The IUPAC name of 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one (CID 2104690) is 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The canonical SMILES for 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one is CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
The InChIKey is UTVJAJZRXFBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-26(2)12-21-24-17-9-5-4-8-16(17)23(28)27(21)13-22-25-18(14-30-22)20-11-15-7-3-6-10-19(15)29-20/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one?
3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one has a molecular weight of 416.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-[(dimethylamino)methyl]quinazolin-4-one is sourced from PubChem (CID 2104690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).