4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C25H26N6O2S — CID 70696333

IUPAC4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(C)c(-n3cnc4ccc(N5CCN(C)CC5)cc4c3=O)c2)n1
InChIInChI=1S/C25H26N6O2S/c1-16-4-5-18(23(32)28-25-27-17(2)14-34-25)12-22(16)31-15-26-21-7-6-19(13-20(21)24(31)33)30-10-8-29(3)9-11-30/h4-7,12-15H,8-11H2,1-3H3,(H,27,28,32)
InChIKeyDISFQBLEAJNFJC-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.46
Rot. Bonds4

About 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70696333) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID70696333
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(C)c(-n3cnc4ccc(N5CCN(C)CC5)cc4c3=O)c2)n1
InChIInChI=1S/C25H26N6O2S/c1-16-4-5-18(23(32)28-25-27-17(2)14-34-25)12-22(16)31-15-26-21-7-6-19(13-20(21)24(31)33)30-10-8-29(3)9-11-30/h4-7,12-15H,8-11H2,1-3H3,(H,27,28,32)
InChIKeyDISFQBLEAJNFJC-UHFFFAOYSA-N
XLogP3.46
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2440919
5-(4-Methylbenzamido)-2-(phenylamino)thiazole-4-carboxamide
CID 46234348
N-(4-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)anilino]methyl]benzamide
CID 145488956
4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489022
N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide
CID 145489338
2-[7-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 163212721
2-[7-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829033
3-(4-oxoquinazolin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 1085004
3-(4-oxoquinazolin-3-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 1291195
12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 2344311
N-(4-methyl-1,3-thiazol-2-yl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 2347928
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 2529822

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 70696333) is 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(C)c(-n3cnc4ccc(N5CCN(C)CC5)cc4c3=O)c2)n1.
What is the InChIKey of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DISFQBLEAJNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-16-4-5-18(23(32)28-25-27-17(2)14-34-25)12-22(16)31-15-26-21-7-6-19(13-20(21)24(31)33)30-10-8-29(3)9-11-30/h4-7,12-15H,8-11H2,1-3H3,(H,27,28,32).
What are the key properties of 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 474.59 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70696333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).