4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile

C15H18N4O — CID 104594174

IUPAC4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
SMILESCC(O)CNCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H18N4O/c1-11(20)9-17-6-7-18-15-12(8-16)10-19-14-5-3-2-4-13(14)15/h2-5,10-11,17,20H,6-7,9H2,1H3,(H,18,19)
InChIKeyOOBSCZXABXCDBF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.49
Rot. Bonds6

About 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile

4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile (PubChem CID 104594174) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
PubChem CID104594174
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
SMILESCC(O)CNCCNc1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H18N4O/c1-11(20)9-17-6-7-18-15-12(8-16)10-19-14-5-3-2-4-13(14)15/h2-5,10-11,17,20H,6-7,9H2,1H3,(H,18,19)
InChIKeyOOBSCZXABXCDBF-UHFFFAOYSA-N
XLogP1.49
TPSA80.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-3-hydroxybutyl)amino]quinoline-3-carbonitrile
CID 64541518
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]quinoline-3-carbonitrile
CID 43668936
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
CID 43668869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile (CID 104594174) is 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile is CC(O)CNCCNc1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile?
The InChIKey is OOBSCZXABXCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(20)9-17-6-7-18-15-12(8-16)10-19-14-5-3-2-4-13(14)15/h2-5,10-11,17,20H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile?
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 104594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).