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

C28H25N5OS — CID 59262685

IUPAC(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)CC1
InChIInChI=1S/C28H25N5OS/c1-32-12-14-33(15-13-32)27(34)25-17-23-24(35-25)11-10-21-18-29-28(31-26(21)23)30-22-9-5-8-20(16-22)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,30,31)
InChIKeyLNEPIVLETVETJP-UHFFFAOYSA-N
MW479.61 g/mol
LogP5.64
Rot. Bonds4

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

(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262685) has the molecular formula C28H25N5OS and a molecular weight of 479.61 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262685
Molecular FormulaC28H25N5OS
Molecular Weight479.61 g/mol
Exact Mass479.18
IUPAC Name(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)CC1
InChIInChI=1S/C28H25N5OS/c1-32-12-14-33(15-13-32)27(34)25-17-23-24(35-25)11-10-21-18-29-28(31-26(21)23)30-22-9-5-8-20(16-22)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,30,31)
InChIKeyLNEPIVLETVETJP-UHFFFAOYSA-N
XLogP5.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-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 (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262685) is (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(-c6ccccc6)c5)nc43)s2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is LNEPIVLETVETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5OS/c1-32-12-14-33(15-13-32)27(34)25-17-23-24(35-25)11-10-21-18-29-28(31-26(21)23)30-22-9-5-8-20(16-22)19-6-3-2-4-7-19/h2-11,16-18H,12-15H2,1H3,(H,29,30,31).
What are the key properties of (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
(4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 479.61 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).