10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

C19H14BrNO2 — CID 101192266

IUPAC10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(Br)ccc3c1c-2cc(=O)n3C
InChIInChI=1S/C19H14BrNO2/c1-9-4-5-10(2)16-15(9)11-8-14(22)21(3)13-7-6-12(20)18(17(11)13)19(16)23/h4-8H,1-3H3
InChIKeyKCPKLJRZXNOAHP-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.13
Rot. Bonds

About 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (PubChem CID 101192266) has the molecular formula C19H14BrNO2 and a molecular weight of 368.23 g/mol. Its IUPAC name is 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.

Molecular Properties

Compound Name10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
PubChem CID101192266
Molecular FormulaC19H14BrNO2
Molecular Weight368.23 g/mol
Exact Mass367.02
IUPAC Name10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCc1ccc(C)c2c1C(=O)c1c(Br)ccc3c1c-2cc(=O)n3C
InChIInChI=1S/C19H14BrNO2/c1-9-4-5-10(2)16-15(9)11-8-14(22)21(3)13-7-6-12(20)18(17(11)13)19(16)23/h4-8H,1-3H3
InChIKeyKCPKLJRZXNOAHP-UHFFFAOYSA-N
XLogP4.13
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The IUPAC name of 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (CID 101192266) is 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.
What is the SMILES notation for 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The canonical SMILES for 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is Cc1ccc(C)c2c1C(=O)c1c(Br)ccc3c1c-2cc(=O)n3C.
What is the InChIKey of 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The InChIKey is KCPKLJRZXNOAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO2/c1-9-4-5-10(2)16-15(9)11-8-14(22)21(3)13-7-6-12(20)18(17(11)13)19(16)23/h4-8H,1-3H3.
What are the key properties of 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione has a molecular weight of 368.23 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is sourced from PubChem (CID 101192266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).