(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

C19H20BrN — CID 178045267

IUPAC(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC[C@H]1c2ccccc2[C@@H]2CCCCN2c2ccc(Br)cc21
InChIInChI=1S/C19H20BrN/c1-13-15-6-2-3-7-16(15)18-8-4-5-11-21(18)19-10-9-14(20)12-17(13)19/h2-3,6-7,9-10,12-13,18H,4-5,8,11H2,1H3/t13-,18-/m0/s1
InChIKeyGVZVKPIKDYIRCQ-UGSOOPFHSA-N
MW342.28 g/mol
LogP5.65
Rot. Bonds

About (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (PubChem CID 178045267) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.

Molecular Properties

Compound Name(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
PubChem CID178045267
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
SMILESC[C@H]1c2ccccc2[C@@H]2CCCCN2c2ccc(Br)cc21
InChIInChI=1S/C19H20BrN/c1-13-15-6-2-3-7-16(15)18-8-4-5-11-21(18)19-10-9-14(20)12-17(13)19/h2-3,6-7,9-10,12-13,18H,4-5,8,11H2,1H3/t13-,18-/m0/s1
InChIKeyGVZVKPIKDYIRCQ-UGSOOPFHSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The IUPAC name of (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene (CID 178045267) is (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene.
What is the SMILES notation for (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The canonical SMILES for (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is C[C@H]1c2ccccc2[C@@H]2CCCCN2c2ccc(Br)cc21.
What is the InChIKey of (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
The InChIKey is GVZVKPIKDYIRCQ-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H20BrN/c1-13-15-6-2-3-7-16(15)18-8-4-5-11-21(18)19-10-9-14(20)12-17(13)19/h2-3,6-7,9-10,12-13,18H,4-5,8,11H2,1H3/t13-,18-/m0/s1.
What are the key properties of (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene?
(7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene has a molecular weight of 342.28 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,14S)-17-bromo-14-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene is sourced from PubChem (CID 178045267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).