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

C15H17BrN2 — CID 63479805

IUPAC1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCc1ccc(Br)c2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C15H17BrN2/c1-9-7-8-11(16)13-14(17)10-5-3-2-4-6-12(10)18-15(9)13/h7-8H,2-6H2,1H3,(H2,17,18)
InChIKeyKUKMVVUFSWCGPR-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.16
Rot. Bonds

About 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63479805) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63479805
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCc1ccc(Br)c2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C15H17BrN2/c1-9-7-8-11(16)13-14(17)10-5-3-2-4-6-12(10)18-15(9)13/h7-8H,2-6H2,1H3,(H2,17,18)
InChIKeyKUKMVVUFSWCGPR-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63479805) is 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is Cc1ccc(Br)c2c(N)c3c(nc12)CCCCC3.
What is the InChIKey of 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is KUKMVVUFSWCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-9-7-8-11(16)13-14(17)10-5-3-2-4-6-12(10)18-15(9)13/h7-8H,2-6H2,1H3,(H2,17,18).
What are the key properties of 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 305.22 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63479805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).