7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene

C22H23FN2O — CID 142759023

IUPAC7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene
SMILESCN1C2CCC1c1c(c3cc(F)ccc3n1CCOc1ccccc1)C2
InChIInChI=1S/C22H23FN2O/c1-24-16-8-10-21(24)22-19(14-16)18-13-15(23)7-9-20(18)25(22)11-12-26-17-5-3-2-4-6-17/h2-7,9,13,16,21H,8,10-12,14H2,1H3
InChIKeyAALGOZXGIUWYQA-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.55
Rot. Bonds4

About 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene

7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene (PubChem CID 142759023) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene.

Molecular Properties

Compound Name7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene
PubChem CID142759023
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene
SMILESCN1C2CCC1c1c(c3cc(F)ccc3n1CCOc1ccccc1)C2
InChIInChI=1S/C22H23FN2O/c1-24-16-8-10-21(24)22-19(14-16)18-13-15(23)7-9-20(18)25(22)11-12-26-17-5-3-2-4-6-17/h2-7,9,13,16,21H,8,10-12,14H2,1H3
InChIKeyAALGOZXGIUWYQA-UHFFFAOYSA-N
XLogP4.55
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-15-methyl-9-(2-phenoxyethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759562
5-fluoro-15-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759228
8-chloro-1,2,3-trimethyl-5-(2-phenoxyethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759363
6-fluoro-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 62376847
2-[(3S)-6-fluoro-3-[3-(2-methoxyphenyl)propanoyl-(2-phenoxyethyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66811559
7-fluoro-3-[(4-hydroxypiperidin-1-yl)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 42330354
2-[6-fluoro-3-[(2-phenoxyacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204857
2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
CID 70897571
methyl 6,6-difluoro-9-(2-phenoxyethyl)-7,8-dihydro-5H-carbazole-3-carboxylate
CID 177149426
15-[3-(4-fluorophenoxy)propyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene;oxalic acid
CID 19791531
2-[6-fluoro-3-[phenylmethoxycarbonyl-[2-[4-(trifluoromethyl)phenoxy]ethyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 66812231
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene?
The IUPAC name of 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene (CID 142759023) is 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene.
What is the SMILES notation for 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene?
The canonical SMILES for 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene is CN1C2CCC1c1c(c3cc(F)ccc3n1CCOc1ccccc1)C2.
What is the InChIKey of 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene?
The InChIKey is AALGOZXGIUWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-24-16-8-10-21(24)22-19(14-16)18-13-15(23)7-9-20(18)25(22)11-12-26-17-5-3-2-4-6-17/h2-7,9,13,16,21H,8,10-12,14H2,1H3.
What are the key properties of 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene?
7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene has a molecular weight of 350.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-15-methyl-3-(2-phenoxyethyl)-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraene is sourced from PubChem (CID 142759023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).