12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

C14H11BrN2O — CID 83170272

IUPAC12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1cc(Br)cn2c3c(nc12)-c1ccoc1CC3
InChIInChI=1S/C14H11BrN2O/c1-8-6-9(15)7-17-11-2-3-12-10(4-5-18-12)13(11)16-14(8)17/h4-7H,2-3H2,1H3
InChIKeyLWAFJAWEXVMJKU-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.76
Rot. Bonds

About 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene

12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (PubChem CID 83170272) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.

Molecular Properties

Compound Name12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
PubChem CID83170272
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
SMILESCc1cc(Br)cn2c3c(nc12)-c1ccoc1CC3
InChIInChI=1S/C14H11BrN2O/c1-8-6-9(15)7-17-11-2-3-12-10(4-5-18-12)13(11)16-14(8)17/h4-7H,2-3H2,1H3
InChIKeyLWAFJAWEXVMJKU-UHFFFAOYSA-N
XLogP3.76
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The IUPAC name of 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene (CID 83170272) is 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene.
What is the SMILES notation for 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The canonical SMILES for 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is Cc1cc(Br)cn2c3c(nc12)-c1ccoc1CC3.
What is the InChIKey of 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
The InChIKey is LWAFJAWEXVMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-8-6-9(15)7-17-11-2-3-12-10(4-5-18-12)13(11)16-14(8)17/h4-7H,2-3H2,1H3.
What are the key properties of 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene?
12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene has a molecular weight of 303.16 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-14-methyl-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene is sourced from PubChem (CID 83170272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).