3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol

C13H13Cl2NO2 — CID 22294924

IUPAC3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
SMILESCc1cc(CC(O)CO)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C13H13Cl2NO2/c1-7-2-9(5-10(18)6-17)16-13-11(7)3-8(14)4-12(13)15/h2-4,10,17-18H,5-6H2,1H3
InChIKeyBUNWXHJOHYHNOH-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.75
Rot. Bonds3

About 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol

3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol (PubChem CID 22294924) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
PubChem CID22294924
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol
SMILESCc1cc(CC(O)CO)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C13H13Cl2NO2/c1-7-2-9(5-10(18)6-17)16-13-11(7)3-8(14)4-12(13)15/h2-4,10,17-18H,5-6H2,1H3
InChIKeyBUNWXHJOHYHNOH-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

(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654
6,8-dichloro-4-methylquinoline-2-carbonitrile
CID 82573278
2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
3-(5-chloro-2-hydroxy-3-methylphenyl)propane-1,2-diol
CID 142768144
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576605
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
4,6,8-trichloro-2,3-dimethylquinoline
CID 63409062
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
2-(6,8-dichloro-2-methylquinolin-4-yl)propan-2-ol
CID 82449382
3-bromo-4,6,8-trichloro-2-methylquinoline
CID 121236219
2,3,4,6,8-pentachloroquinoline
CID 97181861

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The IUPAC name of 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol (CID 22294924) is 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The canonical SMILES for 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol is Cc1cc(CC(O)CO)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
The InChIKey is BUNWXHJOHYHNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-7-2-9(5-10(18)6-17)16-13-11(7)3-8(14)4-12(13)15/h2-4,10,17-18H,5-6H2,1H3.
What are the key properties of 3-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol?
3-(6,8-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-(6,8-dichloro-4-methylquinolin-2-yl)propane-1,2-diol is sourced from PubChem (CID 22294924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).