10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole

C19H19FN2 — CID 143634223

IUPAC10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole
SMILESFc1cccc(-c2ccc3[nH]c4c(c3c2)CNCCCC4)c1
InChIInChI=1S/C19H19FN2/c20-15-5-3-4-13(10-15)14-7-8-19-16(11-14)17-12-21-9-2-1-6-18(17)22-19/h3-5,7-8,10-11,21-22H,1-2,6,9,12H2
InChIKeyOMLCTMCSQRWKPI-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.40
Rot. Bonds1

About 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole

10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole (PubChem CID 143634223) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole.

Molecular Properties

Compound Name10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole
PubChem CID143634223
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole
SMILESFc1cccc(-c2ccc3[nH]c4c(c3c2)CNCCCC4)c1
InChIInChI=1S/C19H19FN2/c20-15-5-3-4-13(10-15)14-7-8-19-16(11-14)17-12-21-9-2-1-6-18(17)22-19/h3-5,7-8,10-11,21-22H,1-2,6,9,12H2
InChIKeyOMLCTMCSQRWKPI-UHFFFAOYSA-N
XLogP4.40
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole 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

8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 46735922
methane;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 143296449
8-ethoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 4777842
9-pyridin-4-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 21129383
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587765
2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
CID 71101672
7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362611
5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
8-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 22396704
40-oxa-8,17,24,33-tetrazaoctacyclo[33.3.1.12,6.13,38.07,15.09,14.026,34.027,32]hentetraconta-1(38),2,4,6(41),7(15),9,11,13,26(34),27,29,31,35(39),36-tetradecaene
CID 102456273
[2-fluoro-4-(3-fluorophenyl)phenyl]borane
CID 88897017
3-[2-(3-fluorophenyl)pyrimidin-5-yl]oxyazepane
CID 117230829

Frequently Asked Questions

What is the IUPAC name of 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole?
The IUPAC name of 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole (CID 143634223) is 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole.
What is the SMILES notation for 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole?
The canonical SMILES for 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole is Fc1cccc(-c2ccc3[nH]c4c(c3c2)CNCCCC4)c1.
What is the InChIKey of 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole?
The InChIKey is OMLCTMCSQRWKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-15-5-3-4-13(10-15)14-7-8-19-16(11-14)17-12-21-9-2-1-6-18(17)22-19/h3-5,7-8,10-11,21-22H,1-2,6,9,12H2.
What are the key properties of 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole?
10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole has a molecular weight of 294.37 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-azocino[4,3-b]indole is sourced from PubChem (CID 143634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).