N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H20N4O3S — CID 39218858

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1
InChIInChI=1S/C26H20N4O3S/c1-16-27-21-9-5-3-8-20(21)25(32)30(16)18-13-11-17(12-14-18)24(31)29-26-28-22(15-34-26)19-7-4-6-10-23(19)33-2/h3-15H,1-2H3,(H,28,29,31)
InChIKeyJGITVEOTGPBTKT-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 39218858) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID39218858
Molecular FormulaC26H20N4O3S
Molecular Weight468.54 g/mol
Exact Mass468.13
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1
InChIInChI=1S/C26H20N4O3S/c1-16-27-21-9-5-3-8-20(21)25(32)30(16)18-13-11-17(12-14-18)24(31)29-26-28-22(15-34-26)19-7-4-6-10-23(19)33-2/h3-15H,1-2H3,(H,28,29,31)
InChIKeyJGITVEOTGPBTKT-UHFFFAOYSA-N
XLogP5.08
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60520102
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46680166
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-(5-cyano-2-methoxyphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 49182677
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 39218858) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is COc1ccccc1-c1csc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is JGITVEOTGPBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c1-16-27-21-9-5-3-8-20(21)25(32)30(16)18-13-11-17(12-14-18)24(31)29-26-28-22(15-34-26)19-7-4-6-10-23(19)33-2/h3-15H,1-2H3,(H,28,29,31).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 468.54 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 39218858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).