4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

C12H13N3O2 — CID 686678

IUPAC4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCN1C(=O)c2c(N)nc3c(c2C1=O)CCCC3
InChIInChI=1S/C12H13N3O2/c1-15-11(16)8-6-4-2-3-5-7(6)14-10(13)9(8)12(15)17/h2-5H2,1H3,(H2,13,14)
InChIKeyNTPVEPGKOXOPIS-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.77
Rot. Bonds

About 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione

4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 686678) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID686678
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione
SMILESCN1C(=O)c2c(N)nc3c(c2C1=O)CCCC3
InChIInChI=1S/C12H13N3O2/c1-15-11(16)8-6-4-2-3-5-7(6)14-10(13)9(8)12(15)17/h2-5H2,1H3,(H2,13,14)
InChIKeyNTPVEPGKOXOPIS-UHFFFAOYSA-N
XLogP0.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione with MolForge

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Related Compounds

4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
N-[3-(Diethylamino)propyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008613
4-Amino-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 612492
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 6-phenyl-1,3,5-trimethyl-
CID 215965
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 5-butyl-1,3,6-trimethyl-
CID 3041227
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione
CID 2726359
N-Propyl-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 6622329
N-(Propan-2-YL)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 20864003
N-{[1-(2-Methylpropyl)pyrrolidin-3-YL]methyl}-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 20864044
1,3,5,7-Tetramethyl-6-[3-oxo-3-(pyrrolidin-1-YL)propyl]-1H,2H,3H,4H-pyrido[2,3-D]pyrimidine-2,4-dione
CID 20864048
6-Tert-butyl-4-(dimethylamino)pyrrolo[3,4-c]pyridine-1,3-dione chloride
CID 45108854
N-(2-methylcyclohexyl)-3-(2,4,6-trimethyl-3-oxo-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 53594128

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione (CID 686678) is 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is CN1C(=O)c2c(N)nc3c(c2C1=O)CCCC3.
What is the InChIKey of 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is NTPVEPGKOXOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-11(16)8-6-4-2-3-5-7(6)14-10(13)9(8)12(15)17/h2-5H2,1H3,(H2,13,14).
What are the key properties of 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione?
4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 231.25 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 686678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).