2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile

C16H17N3O — CID 102609273

IUPAC2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
SMILESCCOC1CC(Nc2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C16H17N3O/c1-2-20-14-8-13(9-14)18-16-12(10-17)7-11-5-3-4-6-15(11)19-16/h3-7,13-14H,2,8-9H2,1H3,(H,18,19)
InChIKeyZBLQUZNWDBOYJO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.09
Rot. Bonds4

About 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile

2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile (PubChem CID 102609273) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
PubChem CID102609273
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
SMILESCCOC1CC(Nc2nc3ccccc3cc2C#N)C1
InChIInChI=1S/C16H17N3O/c1-2-20-14-8-13(9-14)18-16-12(10-17)7-11-5-3-4-6-15(11)19-16/h3-7,13-14H,2,8-9H2,1H3,(H,18,19)
InChIKeyZBLQUZNWDBOYJO-UHFFFAOYSA-N
XLogP3.09
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile (CID 102609273) is 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile is CCOC1CC(Nc2nc3ccccc3cc2C#N)C1.
What is the InChIKey of 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile?
The InChIKey is ZBLQUZNWDBOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-20-14-8-13(9-14)18-16-12(10-17)7-11-5-3-4-6-15(11)19-16/h3-7,13-14H,2,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile?
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 102609273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).