2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C21H22N2O2 — CID 164597055

IUPAC2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCOc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCCC3
InChIInChI=1S/C21H22N2O2/c1-24-19-9-5-6-10-20(19)25-14-11-12-18-16(13-14)21(22)15-7-3-2-4-8-17(15)23-18/h5-6,9-13H,2-4,7-8H2,1H3,(H2,22,23)
InChIKeyJGAACZBSWXLIBW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.89
Rot. Bonds3

About 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 164597055) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID164597055
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCOc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCCC3
InChIInChI=1S/C21H22N2O2/c1-24-19-9-5-6-10-20(19)25-14-11-12-18-16(13-14)21(22)15-7-3-2-4-8-17(15)23-18/h5-6,9-13H,2-4,7-8H2,1H3,(H2,22,23)
InChIKeyJGAACZBSWXLIBW-UHFFFAOYSA-N
XLogP4.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 164597055) is 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is COc1ccccc1Oc1ccc2nc3c(c(N)c2c1)CCCCC3.
What is the InChIKey of 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is JGAACZBSWXLIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-19-9-5-6-10-20(19)25-14-11-12-18-16(13-14)21(22)15-7-3-2-4-8-17(15)23-18/h5-6,9-13H,2-4,7-8H2,1H3,(H2,22,23).
What are the key properties of 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 334.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 164597055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).