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

C21H19N3OS — CID 140930947

IUPAC9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccsc1
InChIInChI=1S/C21H19N3OS/c1-21(2)9-15-18(16(25)10-21)17(12-5-8-26-11-12)19-13(24-15)3-4-14-20(19)23-7-6-22-14/h3-8,11,17,24H,9-10H2,1-2H3
InChIKeyDBNVFDWEKGOZJS-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.89
Rot. Bonds1

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

9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one (PubChem CID 140930947) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one.

Molecular Properties

Compound Name9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
PubChem CID140930947
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccsc1
InChIInChI=1S/C21H19N3OS/c1-21(2)9-15-18(16(25)10-21)17(12-5-8-26-11-12)19-13(24-15)3-4-14-20(19)23-7-6-22-14/h3-8,11,17,24H,9-10H2,1-2H3
InChIKeyDBNVFDWEKGOZJS-UHFFFAOYSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930896
(4R)-7,7-dimethyl-4-thiophen-3-yl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 42548955
12-(4-bromophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[j][1,7]phenanthrolin-11-one
CID 139235282
12-(6-bromo-3-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 140930926
cyclopentyl 2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2872981
(12S)-9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 7480480
(4R)-1-(4-fluorophenyl)-3,7,7-trimethyl-4-thiophen-3-yl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135784449
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-(3-nitrophenyl)-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 4583101
11-(3-bromophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 177498923
(4S)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 30135373
(12R)-12-(4-ethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1044528

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The IUPAC name of 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one (CID 140930947) is 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one.
What is the SMILES notation for 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The canonical SMILES for 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one is CC1(C)CC(=O)C2=C(C1)Nc1ccc3nccnc3c1C2c1ccsc1.
What is the InChIKey of 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
The InChIKey is DBNVFDWEKGOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-21(2)9-15-18(16(25)10-21)17(12-5-8-26-11-12)19-13(24-15)3-4-14-20(19)23-7-6-22-14/h3-8,11,17,24H,9-10H2,1-2H3.
What are the key properties of 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one?
9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one has a molecular weight of 361.47 g/mol, XLogP of 4.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-12-thiophen-3-yl-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one is sourced from PubChem (CID 140930947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).