5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol

C10H9Cl2NO2 — CID 142851512

IUPAC5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol
SMILESCC1=C(O)NC2C=C(Cl)C=C(Cl)C2=C1O
InChIInChI=1S/C10H9Cl2NO2/c1-4-9(14)8-6(12)2-5(11)3-7(8)13-10(4)15/h2-3,7,13-15H,1H3
InChIKeyUSUZBFDZPCSJDG-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.82
Rot. Bonds

About 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol

5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol (PubChem CID 142851512) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol
PubChem CID142851512
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol
SMILESCC1=C(O)NC2C=C(Cl)C=C(Cl)C2=C1O
InChIInChI=1S/C10H9Cl2NO2/c1-4-9(14)8-6(12)2-5(11)3-7(8)13-10(4)15/h2-3,7,13-15H,1H3
InChIKeyUSUZBFDZPCSJDG-UHFFFAOYSA-N
XLogP2.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol?
The IUPAC name of 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol (CID 142851512) is 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol.
What is the SMILES notation for 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol?
The canonical SMILES for 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol is CC1=C(O)NC2C=C(Cl)C=C(Cl)C2=C1O.
What is the InChIKey of 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol?
The InChIKey is USUZBFDZPCSJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-4-9(14)8-6(12)2-5(11)3-7(8)13-10(4)15/h2-3,7,13-15H,1H3.
What are the key properties of 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol?
5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol has a molecular weight of 246.09 g/mol, XLogP of 2.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-1,8a-dihydroquinoline-2,4-diol is sourced from PubChem (CID 142851512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).