8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile

C16H20N4O — CID 22238973

IUPAC8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile
SMILESCC(C)OCCCNc1c(C#N)cnc2c(N)cccc12
InChIInChI=1S/C16H20N4O/c1-11(2)21-8-4-7-19-15-12(9-17)10-20-16-13(15)5-3-6-14(16)18/h3,5-6,10-11H,4,7-8,18H2,1-2H3,(H,19,20)
InChIKeyKDAYPEMVSQZXOP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds6

About 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile

8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile (PubChem CID 22238973) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile
PubChem CID22238973
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile
SMILESCC(C)OCCCNc1c(C#N)cnc2c(N)cccc12
InChIInChI=1S/C16H20N4O/c1-11(2)21-8-4-7-19-15-12(9-17)10-20-16-13(15)5-3-6-14(16)18/h3,5-6,10-11H,4,7-8,18H2,1-2H3,(H,19,20)
InChIKeyKDAYPEMVSQZXOP-UHFFFAOYSA-N
XLogP2.92
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
CID 57076882
3-methyl-2-(2-propan-2-yloxyethylamino)benzonitrile
CID 107107221
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
8-chloro-4-(3-imidazol-1-ylpropylamino)quinoline-3-carbonitrile
CID 91953630
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
4-(ethylamino)-8-(trifluoromethoxy)quinoline-3-carbonitrile
CID 62189546

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile?
The IUPAC name of 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile (CID 22238973) is 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile?
The canonical SMILES for 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile is CC(C)OCCCNc1c(C#N)cnc2c(N)cccc12.
What is the InChIKey of 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile?
The InChIKey is KDAYPEMVSQZXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)21-8-4-7-19-15-12(9-17)10-20-16-13(15)5-3-6-14(16)18/h3,5-6,10-11H,4,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile?
8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(3-propan-2-yloxypropylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 22238973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).