4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C15H17BrN2 — CID 63479943

IUPAC4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCNc1c2c(nc3c(Br)cccc13)CCCCC2
InChIInChI=1S/C15H17BrN2/c1-17-14-10-6-3-2-4-9-13(10)18-15-11(14)7-5-8-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyYUZLJFKJEQXCBV-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.31
Rot. Bonds1

About 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63479943) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63479943
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCNc1c2c(nc3c(Br)cccc13)CCCCC2
InChIInChI=1S/C15H17BrN2/c1-17-14-10-6-3-2-4-9-13(10)18-15-11(14)7-5-8-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyYUZLJFKJEQXCBV-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63479943) is 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CNc1c2c(nc3c(Br)cccc13)CCCCC2.
What is the InChIKey of 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is YUZLJFKJEQXCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-17-14-10-6-3-2-4-9-13(10)18-15-11(14)7-5-8-12(15)16/h5,7-8H,2-4,6,9H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 305.22 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63479943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).