1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one

C12H14N4O — CID 91736644

IUPAC1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one
SMILESCC1CCCc2c1nc(N)c1c2C(N)=NC1=O
InChIInChI=1S/C12H14N4O/c1-5-3-2-4-6-7-8(11(14)15-9(5)6)12(17)16-10(7)13/h5H,2-4H2,1H3,(H2,14,15)(H2,13,16,17)
InChIKeyQBCHNLRDZZHGCO-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.96
Rot. Bonds

About 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one

1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one (PubChem CID 91736644) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one.

Molecular Properties

Compound Name1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one
PubChem CID91736644
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one
SMILESCC1CCCc2c1nc(N)c1c2C(N)=NC1=O
InChIInChI=1S/C12H14N4O/c1-5-3-2-4-6-7-8(11(14)15-9(5)6)12(17)16-10(7)13/h5H,2-4H2,1H3,(H2,14,15)(H2,13,16,17)
InChIKeyQBCHNLRDZZHGCO-UHFFFAOYSA-N
XLogP0.96
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
4-Amino-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 612492
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide
CID 169264291
4-Amino-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 605645
1H-Pyrrolo[3,4-C]pyridine-1,3(2H)-dione, 4-amino-6-methyl-7-propyl-
CID 686365
4-amino-2-methyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
CID 686678
5-Amino-7-imino-4,8-diazatricyclo[7.5.0.0(2,6)]tetradeca-1(9),2(6),4-trien-3-one
CID 54612815
2-Amino-5,6-dimethyl-4-phenylpyridine-3-carboxamide
CID 3756204
2-Amino-3-cyano-5,6-tetramethylenepyridine-4-carboxamide
CID 15312043
3-Amino-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbaldehyde
CID 164663661
2,9-dimethyl-5-(4-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 135968231
4-Amino-2-cyclohexyl-6,7,8,9-tetrahydro-pyrrolo[3,4-c]quinoline-1,3-dione
CID 6425422

Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one?
The IUPAC name of 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one (CID 91736644) is 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one.
What is the SMILES notation for 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one?
The canonical SMILES for 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one is CC1CCCc2c1nc(N)c1c2C(N)=NC1=O.
What is the InChIKey of 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one?
The InChIKey is QBCHNLRDZZHGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-5-3-2-4-6-7-8(11(14)15-9(5)6)12(17)16-10(7)13/h5H,2-4H2,1H3,(H2,14,15)(H2,13,16,17).
What are the key properties of 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one?
1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one has a molecular weight of 230.27 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-6-methyl-6,7,8,9-tetrahydropyrrolo[3,4-c]quinolin-3-one is sourced from PubChem (CID 91736644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).