morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone

C26H26N6O3S — CID 59262696

IUPACmorpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H26N6O3S/c33-24(32-11-13-35-14-12-32)17-1-4-19(5-2-17)29-26-28-16-18-3-6-21-20(23(18)30-26)15-22(36-21)25(34)31-9-7-27-8-10-31/h1-6,15-16,27H,7-14H2,(H,28,29,30)
InChIKeyOEBALGYHRBFDQS-UHFFFAOYSA-N
MW502.60 g/mol
LogP3.11
Rot. Bonds4

About morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone

morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone (PubChem CID 59262696) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone
PubChem CID59262696
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Namemorpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1)N1CCOCC1
InChIInChI=1S/C26H26N6O3S/c33-24(32-11-13-35-14-12-32)17-1-4-19(5-2-17)29-26-28-16-18-3-6-21-20(23(18)30-26)15-22(36-21)25(34)31-9-7-27-8-10-31/h1-6,15-16,27H,7-14H2,(H,28,29,30)
InChIKeyOEBALGYHRBFDQS-UHFFFAOYSA-N
XLogP3.11
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone (CID 59262696) is morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone is O=C(c1ccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone?
The InChIKey is OEBALGYHRBFDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c33-24(32-11-13-35-14-12-32)17-1-4-19(5-2-17)29-26-28-16-18-3-6-21-20(23(18)30-26)15-22(36-21)25(34)31-9-7-27-8-10-31/h1-6,15-16,27H,7-14H2,(H,28,29,30).
What are the key properties of morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone?
morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone has a molecular weight of 502.60 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 59262696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).