(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine

C17H22N2O — CID 116761821

IUPAC(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
SMILESCCOC1(C(N)c2ccc3cccnc3c2)CCCC1
InChIInChI=1S/C17H22N2O/c1-2-20-17(9-3-4-10-17)16(18)14-8-7-13-6-5-11-19-15(13)12-14/h5-8,11-12,16H,2-4,9-10,18H2,1H3
InChIKeyWQSLMNMMNDNLPC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds4

About (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine

(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine (PubChem CID 116761821) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
PubChem CID116761821
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine
SMILESCCOC1(C(N)c2ccc3cccnc3c2)CCCC1
InChIInChI=1S/C17H22N2O/c1-2-20-17(9-3-4-10-17)16(18)14-8-7-13-6-5-11-19-15(13)12-14/h5-8,11-12,16H,2-4,9-10,18H2,1H3
InChIKeyWQSLMNMMNDNLPC-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine?
The IUPAC name of (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine (CID 116761821) is (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine is CCOC1(C(N)c2ccc3cccnc3c2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine?
The InChIKey is WQSLMNMMNDNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-20-17(9-3-4-10-17)16(18)14-8-7-13-6-5-11-19-15(13)12-14/h5-8,11-12,16H,2-4,9-10,18H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine?
(1-ethoxycyclopentyl)-quinolin-7-ylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-quinolin-7-ylmethanamine is sourced from PubChem (CID 116761821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).