2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile

C16H18N4O — CID 66195333

IUPAC2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile
SMILESCCOC1CC(N)C1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-2-21-14-8-12(18)16(14)20-15-7-10(9-17)11-5-3-4-6-13(11)19-15/h3-7,12,14,16H,2,8,18H2,1H3,(H,19,20)
InChIKeyZXXRSUCUWSLXNQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.02
Rot. Bonds4

About 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile

2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile (PubChem CID 66195333) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile
PubChem CID66195333
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile
SMILESCCOC1CC(N)C1Nc1cc(C#N)c2ccccc2n1
InChIInChI=1S/C16H18N4O/c1-2-21-14-8-12(18)16(14)20-15-7-10(9-17)11-5-3-4-6-13(11)19-15/h3-7,12,14,16H,2,8,18H2,1H3,(H,19,20)
InChIKeyZXXRSUCUWSLXNQ-UHFFFAOYSA-N
XLogP2.02
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile?
The IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile (CID 66195333) is 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile is CCOC1CC(N)C1Nc1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile?
The InChIKey is ZXXRSUCUWSLXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-21-14-8-12(18)16(14)20-15-7-10(9-17)11-5-3-4-6-13(11)19-15/h3-7,12,14,16H,2,8,18H2,1H3,(H,19,20).
What are the key properties of 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile?
2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-ethoxycyclobutyl)amino]quinoline-4-carbonitrile is sourced from PubChem (CID 66195333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).