6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline

C19H23BrN2O — CID 135053645

IUPAC6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline
SMILESCCCCCCCCc1cc2nnc3c(Br)cc(C)cc3c2o1
InChIInChI=1S/C19H23BrN2O/c1-3-4-5-6-7-8-9-14-12-17-19(23-14)15-10-13(2)11-16(20)18(15)22-21-17/h10-12H,3-9H2,1-2H3
InChIKeyHCUFWBCGTZXJCF-UHFFFAOYSA-N
MW375.31 g/mol
LogP6.35
Rot. Bonds7

About 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline

6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline (PubChem CID 135053645) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline.

Molecular Properties

Compound Name6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline
PubChem CID135053645
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline
SMILESCCCCCCCCc1cc2nnc3c(Br)cc(C)cc3c2o1
InChIInChI=1S/C19H23BrN2O/c1-3-4-5-6-7-8-9-14-12-17-19(23-14)15-10-13(2)11-16(20)18(15)22-21-17/h10-12H,3-9H2,1-2H3
InChIKeyHCUFWBCGTZXJCF-UHFFFAOYSA-N
XLogP6.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-8-nitrofuro[3,2-c]cinnoline
CID 102087194
2-butyl-6,8-dimethylchromen-4-one
CID 134911457
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
3,5-dipentyl-1,2-oxazole
CID 66668490
2,3,5-triheptylfuran
CID 165157097
4-hydroxy-6-pentylpyran-2-one
CID 54686804
4-methyl-2,6-dioctylpyridine
CID 66935754
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
2-heptadecyl-5,7-dihydroxy-6,8-dimethylchromen-4-one
CID 135353761
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline?
The IUPAC name of 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline (CID 135053645) is 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline.
What is the SMILES notation for 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline?
The canonical SMILES for 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline is CCCCCCCCc1cc2nnc3c(Br)cc(C)cc3c2o1.
What is the InChIKey of 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline?
The InChIKey is HCUFWBCGTZXJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-3-4-5-6-7-8-9-14-12-17-19(23-14)15-10-13(2)11-16(20)18(15)22-21-17/h10-12H,3-9H2,1-2H3.
What are the key properties of 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline?
6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline has a molecular weight of 375.31 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-octylfuro[3,2-c]cinnoline is sourced from PubChem (CID 135053645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).