7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one

C11H8Cl2N2O — CID 140975887

IUPAC7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2c2c1CNC2
InChIInChI=1S/C11H8Cl2N2O/c12-8-1-5-6-3-14-4-7(6)11(16)15-10(5)2-9(8)13/h1-2,14H,3-4H2,(H,15,16)
InChIKeyPROMBBNGNUGMLX-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.44
Rot. Bonds

About 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one

7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one (PubChem CID 140975887) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one
PubChem CID140975887
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2c2c1CNC2
InChIInChI=1S/C11H8Cl2N2O/c12-8-1-5-6-3-14-4-7(6)11(16)15-10(5)2-9(8)13/h1-2,14H,3-4H2,(H,15,16)
InChIKeyPROMBBNGNUGMLX-UHFFFAOYSA-N
XLogP2.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one (CID 140975887) is 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one is O=c1[nH]c2cc(Cl)c(Cl)cc2c2c1CNC2.
What is the InChIKey of 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one?
The InChIKey is PROMBBNGNUGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-8-1-5-6-3-14-4-7(6)11(16)15-10(5)2-9(8)13/h1-2,14H,3-4H2,(H,15,16).
What are the key properties of 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one?
7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one has a molecular weight of 255.10 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-1,2,3,5-tetrahydropyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 140975887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).