4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid

C11H8Cl2N2O2 — CID 67839502

IUPAC4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2cc(Cl)cc(Cl)c2c1N
InChIInChI=1S/C11H8Cl2N2O2/c1-4-9(14)8-6(13)2-5(12)3-7(8)15-10(4)11(16)17/h2-3H,1H3,(H2,14,15)(H,16,17)
InChIKeyHGGRLGHHIIQHPO-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.13
Rot. Bonds1

About 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid

4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid (PubChem CID 67839502) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
PubChem CID67839502
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2cc(Cl)cc(Cl)c2c1N
InChIInChI=1S/C11H8Cl2N2O2/c1-4-9(14)8-6(13)2-5(12)3-7(8)15-10(4)11(16)17/h2-3H,1H3,(H2,14,15)(H,16,17)
InChIKeyHGGRLGHHIIQHPO-UHFFFAOYSA-N
XLogP3.13
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid?
The IUPAC name of 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid (CID 67839502) is 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid?
The canonical SMILES for 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid is Cc1c(C(=O)O)nc2cc(Cl)cc(Cl)c2c1N.
What is the InChIKey of 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid?
The InChIKey is HGGRLGHHIIQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-4-9(14)8-6(13)2-5(12)3-7(8)15-10(4)11(16)17/h2-3H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid?
4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid has a molecular weight of 271.10 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7-dichloro-3-methylquinoline-2-carboxylic acid is sourced from PubChem (CID 67839502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).