3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol

C13H13Cl2NO2 — CID 614545

IUPAC3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
SMILESCc1cc(CC(O)CO)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C13H13Cl2NO2/c1-7-2-8(3-9(18)6-17)16-13-5-12(15)11(14)4-10(7)13/h2,4-5,9,17-18H,3,6H2,1H3
InChIKeyODBNHTQMEKNWHS-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.75
Rot. Bonds3

About 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol

3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol (PubChem CID 614545) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
PubChem CID614545
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
SMILESCc1cc(CC(O)CO)nc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C13H13Cl2NO2/c1-7-2-8(3-9(18)6-17)16-13-5-12(15)11(14)4-10(7)13/h2,4-5,9,17-18H,3,6H2,1H3
InChIKeyODBNHTQMEKNWHS-UHFFFAOYSA-N
XLogP2.75
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-Dichloro-4-(2-chlorophenyl)-3-quinolyl]ethanol
CID 53319662
3-(Dibutylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]propan-1-ol
CID 432276
2-Hydroxymethyl-5-(2,6,7-trichloro-quinolin-4-yl)-tetrahydro-furan-3,4-diol
CID 511719
1-(3,4-Dichlorophenyl)-2-(2-quinolinyl)ethanol
CID 53315287
1-[2-(4-Chlorophenyl)quinolin-4-yl]ethanol
CID 230600
[6,7-Dichloro-2-(trifluoromethyl)quinolin-4-yl]methanediol
CID 123155988
1-(6-Chloro-8-fluoro-4-propan-2-ylquinolin-2-yl)propan-2-ol
CID 170319257
3-(Dibutylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]propan-1-ol;hydrochloride
CID 24198827
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(2,6,7-trichloroquinolin-4-yl)oxolane-3,4-diol
CID 10937400
4-(r-d-Ribofuranosyl)-2,6,7-trichloroquinoline
CID 11111288
1-(2,7-Dichloroquinolin-3-yl)but-3-en-1-ol
CID 71499708
2-[3,4-Dichlorophenyl]-6,8-dichloro-4-[hydroxymethyl]quinoline
CID 633002

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The IUPAC name of 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol (CID 614545) is 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The canonical SMILES for 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol is Cc1cc(CC(O)CO)nc2cc(Cl)c(Cl)cc12.
What is the InChIKey of 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The InChIKey is ODBNHTQMEKNWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-7-2-8(3-9(18)6-17)16-13-5-12(15)11(14)4-10(7)13/h2,4-5,9,17-18H,3,6H2,1H3.
What are the key properties of 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol has a molecular weight of 286.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dichloro-4-methylquinolin-2-yl)propane-1,2-diol is sourced from PubChem (CID 614545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).