6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione

C14H9ClN2O2 — CID 22461848

IUPAC6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione
SMILESCn1cccc1C1=C(Cl)C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-17-7-3-5-9(17)10-11(15)13(18)8-4-2-6-16-12(8)14(10)19/h2-7H,1H3
InChIKeyHPCRZCRUVKSBMQ-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.45
Rot. Bonds1

About 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione

6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione (PubChem CID 22461848) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione.

Molecular Properties

Compound Name6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione
PubChem CID22461848
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione
SMILESCn1cccc1C1=C(Cl)C(=O)c2cccnc2C1=O
InChIInChI=1S/C14H9ClN2O2/c1-17-7-3-5-9(17)10-11(15)13(18)8-4-2-6-16-12(8)14(10)19/h2-7H,1H3
InChIKeyHPCRZCRUVKSBMQ-UHFFFAOYSA-N
XLogP2.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione?
The IUPAC name of 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione (CID 22461848) is 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione.
What is the SMILES notation for 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione?
The canonical SMILES for 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione is Cn1cccc1C1=C(Cl)C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione?
The InChIKey is HPCRZCRUVKSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c1-17-7-3-5-9(17)10-11(15)13(18)8-4-2-6-16-12(8)14(10)19/h2-7H,1H3.
What are the key properties of 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione?
6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione has a molecular weight of 272.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(1-methylpyrrol-2-yl)quinoline-5,8-dione is sourced from PubChem (CID 22461848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).