[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone

C23H23N5OS — CID 59262634

IUPAC[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1ncc2ccc3sc(C(=O)N4CCN(C)CC4)cc3c2n1
InChIInChI=1S/C23H23N5OS/c1-15-5-3-4-6-18(15)25-23-24-14-16-7-8-19-17(21(16)26-23)13-20(30-19)22(29)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)
InChIKeyWTVJHXDTLVVBJX-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.28
Rot. Bonds3

About [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone

[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 59262634) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID59262634
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1ncc2ccc3sc(C(=O)N4CCN(C)CC4)cc3c2n1
InChIInChI=1S/C23H23N5OS/c1-15-5-3-4-6-18(15)25-23-24-14-16-7-8-19-17(21(16)26-23)13-20(30-19)22(29)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26)
InChIKeyWTVJHXDTLVVBJX-UHFFFAOYSA-N
XLogP4.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone (CID 59262634) is [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccccc1Nc1ncc2ccc3sc(C(=O)N4CCN(C)CC4)cc3c2n1.
What is the InChIKey of [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WTVJHXDTLVVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-15-5-3-4-6-18(15)25-23-24-14-16-7-8-19-17(21(16)26-23)13-20(30-19)22(29)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12H2,1-2H3,(H,24,25,26).
What are the key properties of [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 417.54 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)thieno[2,3-h]quinazolin-8-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59262634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).