N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide

C18H13FN4O2S — CID 55580126

IUPACN-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(F)cc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C18H13FN4O2S/c1-22(18-21-14-4-2-3-5-15(14)26-18)16(24)9-23-10-20-13-7-6-11(19)8-12(13)17(23)25/h2-8,10H,9H2,1H3
InChIKeyBOLULHQTQWDXFN-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.81
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide

N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide (PubChem CID 55580126) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
PubChem CID55580126
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccc(F)cc2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C18H13FN4O2S/c1-22(18-21-14-4-2-3-5-15(14)26-18)16(24)9-23-10-20-13-7-6-11(19)8-12(13)17(23)25/h2-8,10H,9H2,1H3
InChIKeyBOLULHQTQWDXFN-UHFFFAOYSA-N
XLogP2.81
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46399434
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573180
N-(1,3-benzothiazol-2-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 112840486
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
N-(1,3-benzothiazol-2-yl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 34252201
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575215
N-(1,3-benzothiazol-2-yl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34253736
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
ethyl 2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55583528
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575810
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46581458

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide (CID 55580126) is N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide is CN(C(=O)Cn1cnc2ccc(F)cc2c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide?
The InChIKey is BOLULHQTQWDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c1-22(18-21-14-4-2-3-5-15(14)26-18)16(24)9-23-10-20-13-7-6-11(19)8-12(13)17(23)25/h2-8,10H,9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide has a molecular weight of 368.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide is sourced from PubChem (CID 55580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).