N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide

C24H24N6O2S — CID 59262616

IUPACN,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1
InChIInChI=1S/C24H24N6O2S/c1-29(2)22(31)15-3-6-17(7-4-15)27-24-26-14-16-5-8-19-18(21(16)28-24)13-20(33-19)23(32)30-11-9-25-10-12-30/h3-8,13-14,25H,9-12H2,1-2H3,(H,26,27,28)
InChIKeyFKMISNUEMYPVCG-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.34
Rot. Bonds4

About N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide

N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide (PubChem CID 59262616) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide
PubChem CID59262616
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC NameN,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1
InChIInChI=1S/C24H24N6O2S/c1-29(2)22(31)15-3-6-17(7-4-15)27-24-26-14-16-5-8-19-18(21(16)28-24)13-20(33-19)23(32)30-11-9-25-10-12-30/h3-8,13-14,25H,9-12H2,1-2H3,(H,26,27,28)
InChIKeyFKMISNUEMYPVCG-UHFFFAOYSA-N
XLogP3.34
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide (CID 59262616) is N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide is CN(C)C(=O)c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide?
The InChIKey is FKMISNUEMYPVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-29(2)22(31)15-3-6-17(7-4-15)27-24-26-14-16-5-8-19-18(21(16)28-24)13-20(33-19)23(32)30-11-9-25-10-12-30/h3-8,13-14,25H,9-12H2,1-2H3,(H,26,27,28).
What are the key properties of N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide?
N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 59262616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).