2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol

C12H12Cl2N2O2 — CID 75444410

IUPAC2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-3-1-7-2-4-10(15-8(5-17)6-18)16-12(7)11(9)14/h1-4,8,17-18H,5-6H2,(H,15,16)
InChIKeyFBCMHLMTZXZLEW-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.31
Rot. Bonds4

About 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol

2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol (PubChem CID 75444410) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
PubChem CID75444410
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol
SMILESOCC(CO)Nc1ccc2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-3-1-7-2-4-10(15-8(5-17)6-18)16-12(7)11(9)14/h1-4,8,17-18H,5-6H2,(H,15,16)
InChIKeyFBCMHLMTZXZLEW-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-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol with MolForge

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Related Compounds

2-({2-[(3,4-Dichlorophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2974249
2-[[2-(3,4-Dichloroanilino)-4-quinazolinyl]amino]ethanol;hydrochloride
CID 2229100
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-[(5,8-Dichloroquinolin-2-yl)amino]propane-1,3-diol
CID 84597172
2-[(3,8-Dichlorophenanthridin-6-yl)amino]butan-1-ol
CID 287387
8-chloro-N-(3,4-dichlorophenyl)quinolin-2-amine
CID 175490590
7,8-Dichloroquinolin-2-amine
CID 64208676
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
2-[[2-(3,4-Dichloroanilino)quinazolin-4-yl]amino]ethanol chloride
CID 53351738

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol (CID 75444410) is 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol is OCC(CO)Nc1ccc2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
The InChIKey is FBCMHLMTZXZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-9-3-1-7-2-4-10(15-8(5-17)6-18)16-12(7)11(9)14/h1-4,8,17-18H,5-6H2,(H,15,16).
What are the key properties of 2-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol?
2-[(7,8-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-[(7,8-dichloroquinolin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 75444410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).