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

C18H9BrN2O2 — CID 11122075

IUPAC10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile
SMILESCn1c(=O)c(C#N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C18H9BrN2O2/c1-21-13-7-6-12(19)15-16(13)14(11(8-20)18(21)23)9-4-2-3-5-10(9)17(15)22/h2-7H,1H3
InChIKeyHCSVFPRILZPUFL-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.38
Rot. Bonds

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

10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile (PubChem CID 11122075) has the molecular formula C18H9BrN2O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile.

Molecular Properties

Compound Name10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile
PubChem CID11122075
Molecular FormulaC18H9BrN2O2
Molecular Weight365.19 g/mol
Exact Mass363.98
IUPAC Name10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile
SMILESCn1c(=O)c(C#N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C18H9BrN2O2/c1-21-13-7-6-12(19)15-16(13)14(11(8-20)18(21)23)9-4-2-3-5-10(9)17(15)22/h2-7H,1H3
InChIKeyHCSVFPRILZPUFL-UHFFFAOYSA-N
XLogP3.38
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

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CID 31418
1-Amino-6-bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 1353238
Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-N-methyl-
CID 80770
3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 6-bromo-4-methyl-1-phenyl-
CID 105434
1-Acetyl-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 925012
Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-2-cyano-N-methyl-
CID 3034286
1-acetyl-6-bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 4689539
1-Amino-6-bromo-4-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 3127232
3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-, ethyl ester
CID 72580
6-bromo-1-ethylbenz[cd]indol-2(1H)-one
CID 170525
6-bromo-1-(cyclohexylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 1630277

Frequently Asked Questions

What is the IUPAC name of 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile?
The IUPAC name of 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile (CID 11122075) is 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile.
What is the SMILES notation for 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile?
The canonical SMILES for 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile is Cn1c(=O)c(C#N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile?
The InChIKey is HCSVFPRILZPUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrN2O2/c1-21-13-7-6-12(19)15-16(13)14(11(8-20)18(21)23)9-4-2-3-5-10(9)17(15)22/h2-7H,1H3.
What are the key properties of 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile?
10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile has a molecular weight of 365.19 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carbonitrile is sourced from PubChem (CID 11122075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).