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

C16H20N2O — CID 63351532

IUPAC4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCOc1cccc2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C16H20N2O/c1-2-19-14-10-6-8-12-15(17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9H2,1H3,(H2,17,18)
InChIKeyHUFBFARCTVCMLR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.48
Rot. Bonds2

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

4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 63351532) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound Name4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID63351532
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESCCOc1cccc2c(N)c3c(nc12)CCCCC3
InChIInChI=1S/C16H20N2O/c1-2-19-14-10-6-8-12-15(17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9H2,1H3,(H2,17,18)
InChIKeyHUFBFARCTVCMLR-UHFFFAOYSA-N
XLogP3.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 63351532) is 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is CCOc1cccc2c(N)c3c(nc12)CCCCC3.
What is the InChIKey of 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is HUFBFARCTVCMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-19-14-10-6-8-12-15(17)11-7-4-3-5-9-13(11)18-16(12)14/h6,8,10H,2-5,7,9H2,1H3,(H2,17,18).
What are the key properties of 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 256.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 63351532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).