3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol

C14H19N3O — CID 113495519

IUPAC3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-2-10(7-8-18)17-14-11-5-3-4-6-13(11)16-9-12(14)15/h3-6,9-10,18H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyPPKIYTARMQIOMX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds5

About 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol

3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol (PubChem CID 113495519) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
PubChem CID113495519
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-2-10(7-8-18)17-14-11-5-3-4-6-13(11)16-9-12(14)15/h3-6,9-10,18H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyPPKIYTARMQIOMX-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
CID 106217212
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
CID 66620004

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol (CID 113495519) is 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol is CCC(CCO)Nc1c(N)cnc2ccccc12.
What is the InChIKey of 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol?
The InChIKey is PPKIYTARMQIOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-10(7-8-18)17-14-11-5-3-4-6-13(11)16-9-12(14)15/h3-6,9-10,18H,2,7-8,15H2,1H3,(H,16,17).
What are the key properties of 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol?
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 113495519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).