7-(1-methylpyrrol-2-yl)quinoline-5,8-diol

C14H12N2O2 — CID 135412693

IUPAC7-(1-methylpyrrol-2-yl)quinoline-5,8-diol
SMILESCn1cccc1-c1cc(O)c2cccnc2c1O
InChIInChI=1S/C14H12N2O2/c1-16-7-3-5-11(16)10-8-12(17)9-4-2-6-15-13(9)14(10)18/h2-8,17-18H,1H3
InChIKeyKQSSMTFTSIUDCT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.65
Rot. Bonds1

About 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol

7-(1-methylpyrrol-2-yl)quinoline-5,8-diol (PubChem CID 135412693) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol.

Molecular Properties

Compound Name7-(1-methylpyrrol-2-yl)quinoline-5,8-diol
PubChem CID135412693
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name7-(1-methylpyrrol-2-yl)quinoline-5,8-diol
SMILESCn1cccc1-c1cc(O)c2cccnc2c1O
InChIInChI=1S/C14H12N2O2/c1-16-7-3-5-11(16)10-8-12(17)9-4-2-6-15-13(9)14(10)18/h2-8,17-18H,1H3
InChIKeyKQSSMTFTSIUDCT-UHFFFAOYSA-N
XLogP2.65
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol?
The IUPAC name of 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol (CID 135412693) is 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol.
What is the SMILES notation for 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol?
The canonical SMILES for 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol is Cn1cccc1-c1cc(O)c2cccnc2c1O.
What is the InChIKey of 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol?
The InChIKey is KQSSMTFTSIUDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16-7-3-5-11(16)10-8-12(17)9-4-2-6-15-13(9)14(10)18/h2-8,17-18H,1H3.
What are the key properties of 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol?
7-(1-methylpyrrol-2-yl)quinoline-5,8-diol has a molecular weight of 240.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrrol-2-yl)quinoline-5,8-diol is sourced from PubChem (CID 135412693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).