3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline

C15H16N2O — CID 54583213

IUPAC3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline
SMILESCC(C)Cc1nc2ccccc2c2ccn(O)c12
InChIInChI=1S/C15H16N2O/c1-10(2)9-14-15-12(7-8-17(15)18)11-5-3-4-6-13(11)16-14/h3-8,10,18H,9H2,1-2H3
InChIKeyLYDHICJEEQQDAM-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.63
Rot. Bonds2

About 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline

3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline (PubChem CID 54583213) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline
PubChem CID54583213
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline
SMILESCC(C)Cc1nc2ccccc2c2ccn(O)c12
InChIInChI=1S/C15H16N2O/c1-10(2)9-14-15-12(7-8-17(15)18)11-5-3-4-6-13(11)16-14/h3-8,10,18H,9H2,1-2H3
InChIKeyLYDHICJEEQQDAM-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline?
The IUPAC name of 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline (CID 54583213) is 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline.
What is the SMILES notation for 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline?
The canonical SMILES for 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline is CC(C)Cc1nc2ccccc2c2ccn(O)c12.
What is the InChIKey of 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline?
The InChIKey is LYDHICJEEQQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)9-14-15-12(7-8-17(15)18)11-5-3-4-6-13(11)16-14/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline?
3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline has a molecular weight of 240.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methylpropyl)pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 54583213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).