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

C16H19BrN2 — CID 81287794

IUPAC2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCc1cc(Br)cc2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C16H19BrN2/c1-2-10-8-11(17)9-13-15(18)12-6-4-3-5-7-14(12)19-16(10)13/h8-9H,2-7H2,1H3,(H2,18,19)
InChIKeyGJZLAQSIPGRMRZ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.41
Rot. Bonds1

About 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 81287794) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID81287794
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCc1cc(Br)cc2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C16H19BrN2/c1-2-10-8-11(17)9-13-15(18)12-6-4-3-5-7-14(12)19-16(10)13/h8-9H,2-7H2,1H3,(H2,18,19)
InChIKeyGJZLAQSIPGRMRZ-UHFFFAOYSA-N
XLogP4.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 81287794) is 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCc1cc(Br)cc2c(N)c3c(nc12)CCCCC3.
What is the InChIKey of 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is GJZLAQSIPGRMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-10-8-11(17)9-13-15(18)12-6-4-3-5-7-14(12)19-16(10)13/h8-9H,2-7H2,1H3,(H2,18,19).
What are the key properties of 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 319.25 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 81287794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).