6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline

C19H21FN2 — CID 13491598

IUPAC6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline
SMILESCN1Cc2c(ccc3c2N(C)CC3)C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2/c1-21-11-17(13-3-6-15(20)7-4-13)16-8-5-14-9-10-22(2)19(14)18(16)12-21/h3-8,17H,9-12H2,1-2H3
InChIKeyCFAUFBKKKGXOHO-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.40
Rot. Bonds1

About 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline

6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline (PubChem CID 13491598) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline
PubChem CID13491598
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Name6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline
SMILESCN1Cc2c(ccc3c2N(C)CC3)C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2/c1-21-11-17(13-3-6-15(20)7-4-13)16-8-5-14-9-10-22(2)19(14)18(16)12-21/h3-8,17H,9-12H2,1-2H3
InChIKeyCFAUFBKKKGXOHO-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline 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 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline?
The IUPAC name of 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline (CID 13491598) is 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline.
What is the SMILES notation for 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline?
The canonical SMILES for 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline is CN1Cc2c(ccc3c2N(C)CC3)C(c2ccc(F)cc2)C1.
What is the InChIKey of 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline?
The InChIKey is CFAUFBKKKGXOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-21-11-17(13-3-6-15(20)7-4-13)16-8-5-14-9-10-22(2)19(14)18(16)12-21/h3-8,17H,9-12H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline?
6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline has a molecular weight of 296.39 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,8-dimethyl-3,6,7,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinoline is sourced from PubChem (CID 13491598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).