9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one

C25H21N3OS2 — CID 140930896

IUPAC9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccc(-c2cccs2)s1
InChIInChI=1S/C25H21N3OS2/c1-25(2)12-16-21(17(29)13-25)23(20-8-7-19(31-20)18-4-3-11-30-18)22-14(28-16)5-6-15-24(22)27-10-9-26-15/h3-11,23,28H,12-13H2,1-2H3
InChIKeyGEENWOSPJBIXEA-UHFFFAOYSA-N
MW443.60 g/mol
LogP6.62
Rot. Bonds2

About 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one

9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one (PubChem CID 140930896) has the molecular formula C25H21N3OS2 and a molecular weight of 443.60 g/mol. Its IUPAC name is 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one.

Molecular Properties

Compound Name9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
PubChem CID140930896
Molecular FormulaC25H21N3OS2
Molecular Weight443.60 g/mol
Exact Mass443.11
IUPAC Name9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccc(-c2cccs2)s1
InChIInChI=1S/C25H21N3OS2/c1-25(2)12-16-21(17(29)13-25)23(20-8-7-19(31-20)18-4-3-11-30-18)22-14(28-16)5-6-15-24(22)27-10-9-26-15/h3-11,23,28H,12-13H2,1-2H3
InChIKeyGEENWOSPJBIXEA-UHFFFAOYSA-N
XLogP6.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one with MolForge

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Related Compounds

9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930947
(12S)-9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 7480480
11-(5-isocyanothiophen-2-yl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 140930907
9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 2945972
12-(5-chlorothiophen-2-yl)-9,9-dimethyl-7,8,10,12-tetrahydropyrimido[5,4-a]acridin-11-one
CID 135360400
1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one
CID 140930941
methyl (4R)-2,7,7-trimethyl-5-oxo-4-(5-thiophen-2-ylthiophen-2-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7177558
(12S)-12-(5-bromothiophen-2-yl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 40871248
12-(4-bromophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[j][1,7]phenanthrolin-11-one
CID 139235282
12-(5-chloro-2-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 145288371
(12S)-12-(2-chlorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1283034
12-(6-bromo-3-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 140930926

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The IUPAC name of 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one (CID 140930896) is 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one.
What is the SMILES notation for 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The canonical SMILES for 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one is CC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccc(-c2cccs2)s1.
What is the InChIKey of 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The InChIKey is GEENWOSPJBIXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3OS2/c1-25(2)12-16-21(17(29)13-25)23(20-8-7-19(31-20)18-4-3-11-30-18)22-14(28-16)5-6-15-24(22)27-10-9-26-15/h3-11,23,28H,12-13H2,1-2H3.
What are the key properties of 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one has a molecular weight of 443.60 g/mol, XLogP of 6.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one is sourced from PubChem (CID 140930896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).