[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C25H26N6O2S — CID 59262740

IUPAC[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C25H26N6O2S/c32-24(31-9-7-26-8-10-31)22-15-20-21(34-22)6-1-17-16-27-25(29-23(17)20)28-18-2-4-19(5-3-18)30-11-13-33-14-12-30/h1-6,15-16,26H,7-14H2,(H,27,28,29)
InChIKeyQOEOMPXKWIAVOW-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.47
Rot. Bonds4

About [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262740) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262740
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C25H26N6O2S/c32-24(31-9-7-26-8-10-31)22-15-20-21(34-22)6-1-17-16-27-25(29-23(17)20)28-18-2-4-19(5-3-18)30-11-13-33-14-12-30/h1-6,15-16,26H,7-14H2,(H,27,28,29)
InChIKeyQOEOMPXKWIAVOW-UHFFFAOYSA-N
XLogP3.47
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262740) is [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is QOEOMPXKWIAVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c32-24(31-9-7-26-8-10-31)22-15-20-21(34-22)6-1-17-16-27-25(29-23(17)20)28-18-2-4-19(5-3-18)30-11-13-33-14-12-30/h1-6,15-16,26H,7-14H2,(H,27,28,29).
What are the key properties of [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 474.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).