4-benzyl-3H-pyrrolo[2,3-c]quinoline

C18H14N2 — CID 52952004

IUPAC4-benzyl-3H-pyrrolo[2,3-c]quinoline
SMILESc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1
InChIInChI=1S/C18H14N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,19H,12H2
InChIKeyPWTJJPSHOLKBPE-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.31
Rot. Bonds2

About 4-benzyl-3H-pyrrolo[2,3-c]quinoline

4-benzyl-3H-pyrrolo[2,3-c]quinoline (PubChem CID 52952004) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-benzyl-3H-pyrrolo[2,3-c]quinoline.

Molecular Properties

Compound Name4-benzyl-3H-pyrrolo[2,3-c]quinoline
PubChem CID52952004
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4-benzyl-3H-pyrrolo[2,3-c]quinoline
SMILESc1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1
InChIInChI=1S/C18H14N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,19H,12H2
InChIKeyPWTJJPSHOLKBPE-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-3H-pyrrolo[2,3-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3H-pyrrolo[2,3-c]quinoline?
The IUPAC name of 4-benzyl-3H-pyrrolo[2,3-c]quinoline (CID 52952004) is 4-benzyl-3H-pyrrolo[2,3-c]quinoline.
What is the SMILES notation for 4-benzyl-3H-pyrrolo[2,3-c]quinoline?
The canonical SMILES for 4-benzyl-3H-pyrrolo[2,3-c]quinoline is c1ccc(Cc2nc3ccccc3c3cc[nH]c23)cc1.
What is the InChIKey of 4-benzyl-3H-pyrrolo[2,3-c]quinoline?
The InChIKey is PWTJJPSHOLKBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-18)14-8-4-5-9-16(14)20-17/h1-11,19H,12H2.
What are the key properties of 4-benzyl-3H-pyrrolo[2,3-c]quinoline?
4-benzyl-3H-pyrrolo[2,3-c]quinoline has a molecular weight of 258.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3H-pyrrolo[2,3-c]quinoline is sourced from PubChem (CID 52952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).