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

C16H12BrClN2 — CID 57402766

IUPAC8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride
SMILESCl.Cn1cc2c3cc(Br)ccc3nc-2c2ccccc21
InChIInChI=1S/C16H11BrN2.ClH/c1-19-9-13-12-8-10(17)6-7-14(12)18-16(13)11-4-2-3-5-15(11)19;/h2-9H,1H3;1H
InChIKeyGKQBPQRTTXJQEY-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.02
Rot. Bonds

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

8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride (PubChem CID 57402766) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride.

Molecular Properties

Compound Name8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride
PubChem CID57402766
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride
SMILESCl.Cn1cc2c3cc(Br)ccc3nc-2c2ccccc21
InChIInChI=1S/C16H11BrN2.ClH/c1-19-9-13-12-8-10(17)6-7-14(12)18-16(13)11-4-2-3-5-15(11)19;/h2-9H,1H3;1H
InChIKeyGKQBPQRTTXJQEY-UHFFFAOYSA-N
XLogP5.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The IUPAC name of 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride (CID 57402766) is 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride.
What is the SMILES notation for 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The canonical SMILES for 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride is Cl.Cn1cc2c3cc(Br)ccc3nc-2c2ccccc21.
What is the InChIKey of 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
The InChIKey is GKQBPQRTTXJQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2.ClH/c1-19-9-13-12-8-10(17)6-7-14(12)18-16(13)11-4-2-3-5-15(11)19;/h2-9H,1H3;1H.
What are the key properties of 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride?
8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride has a molecular weight of 347.64 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methylindolo[3,2-c]quinoline;hydrochloride is sourced from PubChem (CID 57402766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).