4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid

C11H12Cl2N2O2 — CID 82626197

IUPAC4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H12Cl2N2O2/c1-15-5-4-11(14,10(16)17)8-6(12)2-3-7(13)9(8)15/h2-3H,4-5,14H2,1H3,(H,16,17)
InChIKeyBWNGIPXZXRDLGU-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.07
Rot. Bonds1

About 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid

4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid (PubChem CID 82626197) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid
PubChem CID82626197
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C11H12Cl2N2O2/c1-15-5-4-11(14,10(16)17)8-6(12)2-3-7(13)9(8)15/h2-3H,4-5,14H2,1H3,(H,16,17)
InChIKeyBWNGIPXZXRDLGU-UHFFFAOYSA-N
XLogP2.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid?
The IUPAC name of 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid (CID 82626197) is 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid.
What is the SMILES notation for 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid?
The canonical SMILES for 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid is CN1CCC(N)(C(=O)O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid?
The InChIKey is BWNGIPXZXRDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-15-5-4-11(14,10(16)17)8-6(12)2-3-7(13)9(8)15/h2-3H,4-5,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid?
4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid has a molecular weight of 275.13 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,8-dichloro-1-methyl-2,3-dihydroquinoline-4-carboxylic acid is sourced from PubChem (CID 82626197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).