1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile

C17H19N3O — CID 107314628

IUPAC1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccc3cccnc3c2)C1
InChIInChI=1S/C17H19N3O/c1-2-20-17(12-18)8-7-15(11-17)21-14-6-5-13-4-3-9-19-16(13)10-14/h3-6,9-10,15,20H,2,7-8,11H2,1H3
InChIKeyGWKUEDYALQQCKB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds4

About 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile

1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile (PubChem CID 107314628) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
PubChem CID107314628
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccc3cccnc3c2)C1
InChIInChI=1S/C17H19N3O/c1-2-20-17(12-18)8-7-15(11-17)21-14-6-5-13-4-3-9-19-16(13)10-14/h3-6,9-10,15,20H,2,7-8,11H2,1H3
InChIKeyGWKUEDYALQQCKB-UHFFFAOYSA-N
XLogP3.04
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile (CID 107314628) is 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2ccc3cccnc3c2)C1.
What is the InChIKey of 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile?
The InChIKey is GWKUEDYALQQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-20-17(12-18)8-7-15(11-17)21-14-6-5-13-4-3-9-19-16(13)10-14/h3-6,9-10,15,20H,2,7-8,11H2,1H3.
What are the key properties of 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile?
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 107314628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).