2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione

C11H8N2O2 — CID 100919920

IUPAC2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
SMILESO=C1NCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C11H8N2O2/c14-10-6-3-1-2-4-8(6)13-9-7(10)5-12-11(9)15/h1-4H,5H2,(H,12,15)(H,13,14)
InChIKeyDCIUFSOUTAFZMD-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.77
Rot. Bonds

About 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione

2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione (PubChem CID 100919920) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione.

Molecular Properties

Compound Name2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
PubChem CID100919920
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
SMILESO=C1NCc2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C11H8N2O2/c14-10-6-3-1-2-4-8(6)13-9-7(10)5-12-11(9)15/h1-4H,5H2,(H,12,15)(H,13,14)
InChIKeyDCIUFSOUTAFZMD-UHFFFAOYSA-N
XLogP0.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dihydro-1H-pyrrolo[3,4-c]quinoline-3,4-dione
CID 21473979
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3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029
5,10-dihydro-2H-diazepino[4,5-b]indol-1-one
CID 12868772
5H-pyridazino[4,3-b]quinolin-10-one
CID 10987203
3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
CID 170859462
3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one
CID 12593744
3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one
CID 10935867
1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
CID 118141567
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
9-methoxy-7,8,11,12-tetrahydro-5H-indolo[3,2-c][1]benzazepin-6-one
CID 70121226

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione?
The IUPAC name of 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione (CID 100919920) is 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione.
What is the SMILES notation for 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione?
The canonical SMILES for 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione is O=C1NCc2c1[nH]c1ccccc1c2=O.
What is the InChIKey of 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione?
The InChIKey is DCIUFSOUTAFZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-10-6-3-1-2-4-8(6)13-9-7(10)5-12-11(9)15/h1-4H,5H2,(H,12,15)(H,13,14).
What are the key properties of 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione?
2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione has a molecular weight of 200.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione is sourced from PubChem (CID 100919920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).