(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride

C12H13ClN2 — CID 171216982

IUPAC(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h2-8,11H,1,13H2;1H/t11-;/m1./s1
InChIKeyXWNKNECQHDJPKA-RFVHGSKJSA-N
MW220.70 g/mol
LogP2.84
Rot. Bonds2

About (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride

(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride (PubChem CID 171216982) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
PubChem CID171216982
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1ccnc2ccccc12.Cl
InChIInChI=1S/C12H12N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h2-8,11H,1,13H2;1H/t11-;/m1./s1
InChIKeyXWNKNECQHDJPKA-RFVHGSKJSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(2-chlorophenyl)-quinolin-4-ylmethanamine
CID 105099870
[4-[4-[amino(quinolin-4-yl)methyl]phenyl]phenyl]-quinolin-4-ylmethanamine;hydrate
CID 67722730
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
CID 160608048
CID 160608048
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride (CID 171216982) is (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1ccnc2ccccc12.Cl.
What is the InChIKey of (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride?
The InChIKey is XWNKNECQHDJPKA-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H12N2.ClH/c1-2-11(13)9-7-8-14-12-6-4-3-5-10(9)12;/h2-8,11H,1,13H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride?
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171216982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).