2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride

C12H14Cl2N2O — CID 170893249

IUPAC2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H13ClN2O.ClH/c13-12-9(6-10(14)7-16)5-8-3-1-2-4-11(8)15-12;/h1-5,10,16H,6-7,14H2;1H
InChIKeyCIYWAEMKLQJBMB-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.17
Rot. Bonds3

About 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride

2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride (PubChem CID 170893249) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
PubChem CID170893249
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H13ClN2O.ClH/c13-12-9(6-10(14)7-16)5-8-3-1-2-4-11(8)15-12;/h1-5,10,16H,6-7,14H2;1H
InChIKeyCIYWAEMKLQJBMB-UHFFFAOYSA-N
XLogP2.17
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 116985217
(2-chloroquinolin-3-yl)methanamine
CID 71748539
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CID 116985247
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236
3-benzyl-2-chloroquinoline
CID 14001237
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(2-butan-2-ylsulfanylquinolin-3-yl)butan-2-amine
CID 63835711
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-[(2-chloroquinolin-3-yl)methoxy]aniline
CID 61026521
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride (CID 170893249) is 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride?
The InChIKey is CIYWAEMKLQJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O.ClH/c13-12-9(6-10(14)7-16)5-8-3-1-2-4-11(8)15-12;/h1-5,10,16H,6-7,14H2;1H.
What are the key properties of 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride?
2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride has a molecular weight of 273.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloroquinolin-3-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).