2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride

C16H11Br2ClN2 — CID 57390490

IUPAC2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride
SMILESCl.Cn1cc2c3cc(Br)ccc3nc-2c2cc(Br)ccc21
InChIInChI=1S/C16H10Br2N2.ClH/c1-20-8-13-11-6-9(17)2-4-14(11)19-16(13)12-7-10(18)3-5-15(12)20;/h2-8H,1H3;1H
InChIKeyLHHDQUSAFGYWJX-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.78
Rot. Bonds

About 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride

2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride (PubChem CID 57390490) has the molecular formula C16H11Br2ClN2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride.

Molecular Properties

Compound Name2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride
PubChem CID57390490
Molecular FormulaC16H11Br2ClN2
Molecular Weight426.54 g/mol
Exact Mass423.90
IUPAC Name2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride
SMILESCl.Cn1cc2c3cc(Br)ccc3nc-2c2cc(Br)ccc21
InChIInChI=1S/C16H10Br2N2.ClH/c1-20-8-13-11-6-9(17)2-4-14(11)19-16(13)12-7-10(18)3-5-15(12)20;/h2-8H,1H3;1H
InChIKeyLHHDQUSAFGYWJX-UHFFFAOYSA-N
XLogP5.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The IUPAC name of 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride (CID 57390490) is 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride.
What is the SMILES notation for 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The canonical SMILES for 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride is Cl.Cn1cc2c3cc(Br)ccc3nc-2c2cc(Br)ccc21.
What is the InChIKey of 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The InChIKey is LHHDQUSAFGYWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2.ClH/c1-20-8-13-11-6-9(17)2-4-14(11)19-16(13)12-7-10(18)3-5-15(12)20;/h2-8H,1H3;1H.
What are the key properties of 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride has a molecular weight of 426.54 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromo-5-methylindolo[3,2-c]quinoline;hydrochloride is sourced from PubChem (CID 57390490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).