4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol

C18H14N2O — CID 52952005

IUPAC4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol
SMILESOc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1
InChIInChI=1S/C18H14N2O/c21-13-7-5-12(6-8-13)11-17-18-15(9-10-19-18)14-3-1-2-4-16(14)20-17/h1-10,19,21H,11H2
InChIKeyIBYIBTVYTZSSQN-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.01
Rot. Bonds2

About 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol

4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol (PubChem CID 52952005) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol
PubChem CID52952005
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol
SMILESOc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1
InChIInChI=1S/C18H14N2O/c21-13-7-5-12(6-8-13)11-17-18-15(9-10-19-18)14-3-1-2-4-16(14)20-17/h1-10,19,21H,11H2
InChIKeyIBYIBTVYTZSSQN-UHFFFAOYSA-N
XLogP4.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol?
The IUPAC name of 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol (CID 52952005) is 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol.
What is the SMILES notation for 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol?
The canonical SMILES for 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol is Oc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1.
What is the InChIKey of 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol?
The InChIKey is IBYIBTVYTZSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-13-7-5-12(6-8-13)11-17-18-15(9-10-19-18)14-3-1-2-4-16(14)20-17/h1-10,19,21H,11H2.
What are the key properties of 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol?
4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol has a molecular weight of 274.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-pyrrolo[2,3-c]quinolin-4-ylmethyl)phenol is sourced from PubChem (CID 52952005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).