2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride

C14H15Br2ClN2 — CID 164625160

IUPAC2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
SMILESCl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCCC2
InChIInChI=1S/C14H14Br2N2.ClH/c15-8-6-10-13(17)9-4-2-1-3-5-12(9)18-14(10)11(16)7-8;/h6-7H,1-5H2,(H2,17,18);1H
InChIKeyYHIWKKZYTRKUQJ-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.03
Rot. Bonds

About 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride

2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride (PubChem CID 164625160) has the molecular formula C14H15Br2ClN2 and a molecular weight of 406.55 g/mol. Its IUPAC name is 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride.

Molecular Properties

Compound Name2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
PubChem CID164625160
Molecular FormulaC14H15Br2ClN2
Molecular Weight406.55 g/mol
Exact Mass403.93
IUPAC Name2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride
SMILESCl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCCC2
InChIInChI=1S/C14H14Br2N2.ClH/c15-8-6-10-13(17)9-4-2-1-3-5-12(9)18-14(10)11(16)7-8;/h6-7H,1-5H2,(H2,17,18);1H
InChIKeyYHIWKKZYTRKUQJ-UHFFFAOYSA-N
XLogP5.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
The IUPAC name of 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride (CID 164625160) is 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride.
What is the SMILES notation for 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
The canonical SMILES for 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride is Cl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCCC2.
What is the InChIKey of 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
The InChIKey is YHIWKKZYTRKUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2.ClH/c15-8-6-10-13(17)9-4-2-1-3-5-12(9)18-14(10)11(16)7-8;/h6-7H,1-5H2,(H2,17,18);1H.
What are the key properties of 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride?
2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride has a molecular weight of 406.55 g/mol, XLogP of 5.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine;hydrochloride is sourced from PubChem (CID 164625160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).