N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide

C16H14ClN3O2S — CID 51174011

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C16H14ClN3O2S/c1-20(8-11-6-7-14(17)23-11)15(21)9-22-16-12-4-2-3-5-13(12)18-10-19-16/h2-7,10H,8-9H2,1H3
InChIKeyUCRRQVARGRYUBP-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.38
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide (PubChem CID 51174011) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
PubChem CID51174011
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C16H14ClN3O2S/c1-20(8-11-6-7-14(17)23-11)15(21)9-22-16-12-4-2-3-5-13(12)18-10-19-16/h2-7,10H,8-9H2,1H3
InChIKeyUCRRQVARGRYUBP-UHFFFAOYSA-N
XLogP3.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4793715
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91777997
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 55357774
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 134061130
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35611700
3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 37207871
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(4-cyanophenyl)phenoxy]-N-methylacetamide
CID 8005575
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 55357935

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide (CID 51174011) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide is CN(Cc1ccc(Cl)s1)C(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide?
The InChIKey is UCRRQVARGRYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-20(8-11-6-7-14(17)23-11)15(21)9-22-16-12-4-2-3-5-13(12)18-10-19-16/h2-7,10H,8-9H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide has a molecular weight of 347.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 51174011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).