N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

C16H15N3O2S — CID 32957981

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccsc1CNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C16H15N3O2S/c1-11-6-7-22-14(11)8-17-15(20)9-19-10-18-13-5-3-2-4-12(13)16(19)21/h2-7,10H,8-9H2,1H3,(H,17,20)
InChIKeyAZAXWMJIPROGJU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.08
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 32957981) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID32957981
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccsc1CNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C16H15N3O2S/c1-11-6-7-22-14(11)8-17-15(20)9-19-10-18-13-5-3-2-4-12(13)16(19)21/h2-7,10H,8-9H2,1H3,(H,17,20)
InChIKeyAZAXWMJIPROGJU-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121169618
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122322312
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 32957981) is N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccsc1CNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is AZAXWMJIPROGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-6-7-22-14(11)8-17-15(20)9-19-10-18-13-5-3-2-4-12(13)16(19)21/h2-7,10H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 32957981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).