(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride

C13H17ClN2O — CID 171217020

IUPAC(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccnc2ccccc12
InChIInChI=1S/C13H16N2O.ClH/c14-12(5-3-9-16)10-7-8-15-13-6-2-1-4-11(10)13;/h1-2,4,6-8,12,16H,3,5,9,14H2;1H/t12-;/m1./s1
InChIKeyRQOHGHZYNHJGHY-UTONKHPSSA-N
MW252.75 g/mol
LogP2.43
Rot. Bonds4

About (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride

(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride (PubChem CID 171217020) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
PubChem CID171217020
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccnc2ccccc12
InChIInChI=1S/C13H16N2O.ClH/c14-12(5-3-9-16)10-7-8-15-13-6-2-1-4-11(10)13;/h1-2,4,6-8,12,16H,3,5,9,14H2;1H/t12-;/m1./s1
InChIKeyRQOHGHZYNHJGHY-UTONKHPSSA-N
XLogP2.43
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
2-amino-1-quinolin-4-ylpropane-1,3-diol
CID 66206365
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
3-quinolin-4-ylpropan-1-ol
CID 21218471
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
CID 171217585

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride (CID 171217020) is (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1ccnc2ccccc12.
What is the InChIKey of (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride?
The InChIKey is RQOHGHZYNHJGHY-UTONKHPSSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c14-12(5-3-9-16)10-7-8-15-13-6-2-1-4-11(10)13;/h1-2,4,6-8,12,16H,3,5,9,14H2;1H/t12-;/m1./s1.
What are the key properties of (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride?
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 171217020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).