5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

C12H12Cl2N2O — CID 10016012

IUPAC5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
SMILESCN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3
InChIKeyYZPOQCQXOSEMAZ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.31
Rot. Bonds2

About 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol

5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol (PubChem CID 10016012) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
PubChem CID10016012
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
SMILESCN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3
InChIKeyYZPOQCQXOSEMAZ-UHFFFAOYSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol (CID 10016012) is 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol is CN(C)Cc1ccc2c(Cl)cc(Cl)c(O)c2n1.
What is the InChIKey of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol?
The InChIKey is YZPOQCQXOSEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3.
What are the key properties of 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol?
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol has a molecular weight of 271.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 10016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).