N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide

C25H24N6O3S — CID 59262632

IUPACN-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCN(C(C)=O)CC5)cc4c3n2)c1
InChIInChI=1S/C25H24N6O3S/c1-15(32)27-18-4-3-5-19(12-18)28-25-26-14-17-6-7-21-20(23(17)29-25)13-22(35-21)24(34)31-10-8-30(9-11-31)16(2)33/h3-7,12-14H,8-11H2,1-2H3,(H,27,32)(H,26,28,29)
InChIKeySVCUIUOHFSPCNR-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.85
Rot. Bonds4

About N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide

N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 59262632) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
PubChem CID59262632
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC NameN-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCN(C(C)=O)CC5)cc4c3n2)c1
InChIInChI=1S/C25H24N6O3S/c1-15(32)27-18-4-3-5-19(12-18)28-25-26-14-17-6-7-21-20(23(17)29-25)13-22(35-21)24(34)31-10-8-30(9-11-31)16(2)33/h3-7,12-14H,8-11H2,1-2H3,(H,27,32)(H,26,28,29)
InChIKeySVCUIUOHFSPCNR-UHFFFAOYSA-N
XLogP3.85
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide (CID 59262632) is N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCN(C(C)=O)CC5)cc4c3n2)c1.
What is the InChIKey of N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is SVCUIUOHFSPCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-15(32)27-18-4-3-5-19(12-18)28-25-26-14-17-6-7-21-20(23(17)29-25)13-22(35-21)24(34)31-10-8-30(9-11-31)16(2)33/h3-7,12-14H,8-11H2,1-2H3,(H,27,32)(H,26,28,29).
What are the key properties of N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide?
N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide has a molecular weight of 488.57 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[8-(4-acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 59262632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).