2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol

C12H12Cl2N2O2 — CID 84597172

IUPAC2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-2-3-10(14)12-8(9)1-4-11(16-12)15-7(5-17)6-18/h1-4,7,17-18H,5-6H2,(H,15,16)
InChIKeyKYFMMJFGARDMRN-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.31
Rot. Bonds4

About 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol

2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol (PubChem CID 84597172) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
PubChem CID84597172
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-2-3-10(14)12-8(9)1-4-11(16-12)15-7(5-17)6-18/h1-4,7,17-18H,5-6H2,(H,15,16)
InChIKeyKYFMMJFGARDMRN-UHFFFAOYSA-N
XLogP2.31
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

2-[(2-Chlorophenanthridin-6-yl)amino]butan-1-ol
CID 287384
2-({2-[(3-Chloro-2-methylphenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2976153
2-[(7,8-Dichloroquinolin-2-yl)amino]propane-1,3-diol
CID 75444410
2-[(7-Chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol
CID 75444411
2-[(5-Chloro-8-methylquinolin-2-yl)amino]propane-1,3-diol
CID 75448600
2-[(3,8-Dichlorophenanthridin-6-yl)amino]butan-1-ol
CID 287387
2-({2-[(2-Chlorophenyl)amino]-4-quinazolinyl}amino)ethanol
CID 39861397
3-[(3,8-Dichlorophenanthridin-6-yl)amino]propan-1-ol
CID 287382
(2S)-1-[(6-chloroquinolin-2-yl)amino]-3-(dimethylamino)propan-2-ol
CID 125435920
(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol
CID 164636815
8-chloro-N-ethyl-5-fluoroquinolin-2-amine
CID 107531494
8-chloro-5-fluoro-N-propylquinolin-2-amine
CID 107531497

Frequently Asked Questions

What is the IUPAC name of 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol (CID 84597172) is 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol is OCC(CO)Nc1ccc2c(Cl)ccc(Cl)c2n1.
What is the InChIKey of 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The InChIKey is KYFMMJFGARDMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-9-2-3-10(14)12-8(9)1-4-11(16-12)15-7(5-17)6-18/h1-4,7,17-18H,5-6H2,(H,15,16).
What are the key properties of 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol has a molecular weight of 287.15 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,8-dichloroquinolin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 84597172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).