3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline

C22H19N5 — CID 72703890

IUPAC3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline
SMILESCCn1ccc2c3c(Cn4cncn4)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3
InChIKeyCFSABHQRTGUEMV-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.52
Rot. Bonds4

About 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline

3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline (PubChem CID 72703890) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline.

Molecular Properties

Compound Name3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline
PubChem CID72703890
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline
SMILESCCn1ccc2c3c(Cn4cncn4)cc(-c4ccccc4)nc3ccc21
InChIInChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3
InChIKeyCFSABHQRTGUEMV-UHFFFAOYSA-N
XLogP4.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]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 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline?
The IUPAC name of 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline (CID 72703890) is 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline.
What is the SMILES notation for 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline?
The canonical SMILES for 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline is CCn1ccc2c3c(Cn4cncn4)cc(-c4ccccc4)nc3ccc21.
What is the InChIKey of 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline?
The InChIKey is CFSABHQRTGUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-26-11-10-18-21(26)9-8-19-22(18)17(13-27-15-23-14-24-27)12-20(25-19)16-6-4-3-5-7-16/h3-12,14-15H,2,13H2,1H3.
What are the key properties of 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline?
3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline has a molecular weight of 353.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-phenyl-9-(1,2,4-triazol-1-ylmethyl)pyrrolo[3,2-f]quinoline is sourced from PubChem (CID 72703890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).