2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

C23H14FN3O2 — CID 10430032

IUPAC2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESFc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-n1ccc2cnccc21
InChIInChI=1S/C23H14FN3O2/c24-21-22(14-5-6-19-20(11-14)29-13-28-19)26-17-4-2-1-3-16(17)23(21)27-10-8-15-12-25-9-7-18(15)27/h1-12H,13H2
InChIKeyRUTBNSMZVIISRR-UHFFFAOYSA-N
MW383.38 g/mol
LogP5.11
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline

2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (PubChem CID 10430032) has the molecular formula C23H14FN3O2 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
PubChem CID10430032
Molecular FormulaC23H14FN3O2
Molecular Weight383.38 g/mol
Exact Mass383.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline
SMILESFc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-n1ccc2cnccc21
InChIInChI=1S/C23H14FN3O2/c24-21-22(14-5-6-19-20(11-14)29-13-28-19)26-17-4-2-1-3-16(17)23(21)27-10-8-15-12-25-9-7-18(15)27/h1-12H,13H2
InChIKeyRUTBNSMZVIISRR-UHFFFAOYSA-N
XLogP5.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline with MolForge

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

Launch Full Analysis

Related Compounds

Berberine
CID 2353
Coptisine
CID 72322
Berberine chloride
CID 12456
Sanguinarine
CID 5154
Berberine, sulfate
CID 5351462
Nitidine, chloride
CID 25659
Coralyne chloride
CID 23306
Epiberberine
CID 160876
Ungeremine
CID 159646
Coptisine hydrochloride
CID 72321
Dubamine
CID 360322
5,7-Dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-olate
CID 3738100

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline (CID 10430032) is 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is Fc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-n1ccc2cnccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
The InChIKey is RUTBNSMZVIISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O2/c24-21-22(14-5-6-19-20(11-14)29-13-28-19)26-17-4-2-1-3-16(17)23(21)27-10-8-15-12-25-9-7-18(15)27/h1-12H,13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline?
2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline has a molecular weight of 383.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline is sourced from PubChem (CID 10430032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).