N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide

C24H24N6O2S — CID 70681602

IUPACN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O2S/c1-16-3-4-17(27-23(31)22-13-25-15-33-22)11-21(16)30-14-26-20-6-5-18(12-19(20)24(30)32)29-9-7-28(2)8-10-29/h3-6,11-15H,7-10H2,1-2H3,(H,27,31)
InChIKeyWCCAEYPMNBWANP-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.15
Rot. Bonds4

About N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 70681602) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID70681602
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cncs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O2S/c1-16-3-4-17(27-23(31)22-13-25-15-33-22)11-21(16)30-14-26-20-6-5-18(12-19(20)24(30)32)29-9-7-28(2)8-10-29/h3-6,11-15H,7-10H2,1-2H3,(H,27,31)
InChIKeyWCCAEYPMNBWANP-UHFFFAOYSA-N
XLogP3.15
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[7-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829033
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(propylamino)thiazole-5-carboxamide
CID 11186612
N-(5-(ethylcarbamoyl)-2-methylphenyl)-2-(propylamino)thiazole-5-carboxamide
CID 11484790
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4-aminobenzylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 44410419
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 70683717
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 70694239
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-thiazol-2-ylmethyl-benzamide
CID 135474702
4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-N-thiazol-5-ylmethyl-benzamide
CID 135517470
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-2-carboxamide
CID 70681603
4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 70694241
6-Amino-1-methyl-7-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinolin-4-one
CID 44569128
2-[(4-Methylanilino)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)quinazolin-4-one
CID 171347097

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 70681602) is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cncs2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WCCAEYPMNBWANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-16-3-4-17(27-23(31)22-13-25-15-33-22)11-21(16)30-14-26-20-6-5-18(12-19(20)24(30)32)29-9-7-28(2)8-10-29/h3-6,11-15H,7-10H2,1-2H3,(H,27,31).
What are the key properties of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide?
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70681602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).