6,8-dibromo-2-butylquinoline

C13H13Br2N — CID 11810047

IUPAC6,8-dibromo-2-butylquinoline
SMILESCCCCc1ccc2cc(Br)cc(Br)c2n1
InChIInChI=1S/C13H13Br2N/c1-2-3-4-11-6-5-9-7-10(14)8-12(15)13(9)16-11/h5-8H,2-4H2,1H3
InChIKeySBZJZEZPKVGEHD-UHFFFAOYSA-N
MW343.06 g/mol
LogP5.10
Rot. Bonds3

About 6,8-dibromo-2-butylquinoline

6,8-dibromo-2-butylquinoline (PubChem CID 11810047) has the molecular formula C13H13Br2N and a molecular weight of 343.06 g/mol. Its IUPAC name is 6,8-dibromo-2-butylquinoline.

Molecular Properties

Compound Name6,8-dibromo-2-butylquinoline
PubChem CID11810047
Molecular FormulaC13H13Br2N
Molecular Weight343.06 g/mol
Exact Mass340.94
IUPAC Name6,8-dibromo-2-butylquinoline
SMILESCCCCc1ccc2cc(Br)cc(Br)c2n1
InChIInChI=1S/C13H13Br2N/c1-2-3-4-11-6-5-9-7-10(14)8-12(15)13(9)16-11/h5-8H,2-4H2,1H3
InChIKeySBZJZEZPKVGEHD-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.06
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-butyl-3-pyridinyl)methanol
CID 119083951
2,9-dibutyl-1,7-phenanthroline
CID 66684752
2-butyl-8-nitro-6-(trifluoromethyl)quinoline
CID 151259813
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
2-[3-bromo-5-(6-octyl-2-pyridinyl)phenyl]-6-octylpyridine
CID 163215048
2-heptyl-1,10-phenanthroline
CID 150280165
2-butyl-1,6-naphthyridine
CID 23383449
2-octylquinoline-8-sulfonamide
CID 67803387
2,6-dipentylpyridine
CID 58097448
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)butyl]-1,10-phenanthroline
CID 102368622
(6-butyl-2-pyridinyl)methanamine
CID 67813294
2-hexadecyl-6-methylquinoline
CID 4997368

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-butylquinoline?
The IUPAC name of 6,8-dibromo-2-butylquinoline (CID 11810047) is 6,8-dibromo-2-butylquinoline.
What is the SMILES notation for 6,8-dibromo-2-butylquinoline?
The canonical SMILES for 6,8-dibromo-2-butylquinoline is CCCCc1ccc2cc(Br)cc(Br)c2n1.
What is the InChIKey of 6,8-dibromo-2-butylquinoline?
The InChIKey is SBZJZEZPKVGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N/c1-2-3-4-11-6-5-9-7-10(14)8-12(15)13(9)16-11/h5-8H,2-4H2,1H3.
What are the key properties of 6,8-dibromo-2-butylquinoline?
6,8-dibromo-2-butylquinoline has a molecular weight of 343.06 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-butylquinoline is sourced from PubChem (CID 11810047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).