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

C27H22N4O2S — CID 59262745

IUPACmorpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1)N1CCOCC1
InChIInChI=1S/C27H22N4O2S/c32-26(31-11-13-33-14-12-31)24-16-22-23(34-24)10-9-20-17-28-27(30-25(20)22)29-21-8-4-7-19(15-21)18-5-2-1-3-6-18/h1-10,15-17H,11-14H2,(H,28,29,30)
InChIKeyXYSDKFIEWJXIHK-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.73
Rot. Bonds4

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

morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262745) has the molecular formula C27H22N4O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262745
Molecular FormulaC27H22N4O2S
Molecular Weight466.57 g/mol
Exact Mass466.15
IUPAC Namemorpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1)N1CCOCC1
InChIInChI=1S/C27H22N4O2S/c32-26(31-11-13-33-14-12-31)24-16-22-23(34-24)10-9-20-17-28-27(30-25(20)22)29-21-8-4-7-19(15-21)18-5-2-1-3-6-18/h1-10,15-17H,11-14H2,(H,28,29,30)
InChIKeyXYSDKFIEWJXIHK-UHFFFAOYSA-N
XLogP5.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262745) is morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is O=C(c1cc2c(ccc3cnc(Nc4cccc(-c5ccccc5)c4)nc32)s1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is XYSDKFIEWJXIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2S/c32-26(31-11-13-33-14-12-31)24-16-22-23(34-24)10-9-20-17-28-27(30-25(20)22)29-21-8-4-7-19(15-21)18-5-2-1-3-6-18/h1-10,15-17H,11-14H2,(H,28,29,30).
What are the key properties of morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 466.57 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(3-phenylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).