8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile

C13H8BrN3O — CID 163419044

IUPAC8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cnc3ccc(Br)cc3c21
InChIInChI=1S/C13H8BrN3O/c1-13(6-15)11-8-4-7(14)2-3-9(8)16-5-10(11)17-12(13)18/h2-5H,1H3,(H,17,18)
InChIKeyAGWKIKIXDSGXNW-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.73
Rot. Bonds

About 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile

8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile (PubChem CID 163419044) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile.

Molecular Properties

Compound Name8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile
PubChem CID163419044
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cnc3ccc(Br)cc3c21
InChIInChI=1S/C13H8BrN3O/c1-13(6-15)11-8-4-7(14)2-3-9(8)16-5-10(11)17-12(13)18/h2-5H,1H3,(H,17,18)
InChIKeyAGWKIKIXDSGXNW-UHFFFAOYSA-N
XLogP2.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile?
The IUPAC name of 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile (CID 163419044) is 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile.
What is the SMILES notation for 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile?
The canonical SMILES for 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile is CC1(C#N)C(=O)Nc2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile?
The InChIKey is AGWKIKIXDSGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c1-13(6-15)11-8-4-7(14)2-3-9(8)16-5-10(11)17-12(13)18/h2-5H,1H3,(H,17,18).
What are the key properties of 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile?
8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile has a molecular weight of 302.13 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile is sourced from PubChem (CID 163419044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).