3,7-dichloroquinoline-8-carboxylic acid;hydrochloride

C10H6Cl3NO2 — CID 70394889

IUPAC3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H5Cl2NO2.ClH/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6;/h1-4H,(H,14,15);1H
InChIKeyRBYONTLXBDMNFW-UHFFFAOYSA-N
MW278.52 g/mol
LogP3.66
Rot. Bonds1

About 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride

3,7-dichloroquinoline-8-carboxylic acid;hydrochloride (PubChem CID 70394889) has the molecular formula C10H6Cl3NO2 and a molecular weight of 278.52 g/mol. Its IUPAC name is 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
PubChem CID70394889
Molecular FormulaC10H6Cl3NO2
Molecular Weight278.52 g/mol
Exact Mass276.95
IUPAC Name3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C10H5Cl2NO2.ClH/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6;/h1-4H,(H,14,15);1H
InChIKeyRBYONTLXBDMNFW-UHFFFAOYSA-N
XLogP3.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinclorac
CID 91739
Quinmerac
CID 91749
8-Quinolinecarboxylic acid
CID 66582
7-Chloroquinoline-3,8-dicarboxylic acid
CID 13309794
6-Chloro-8-quinolinecarboxylic acid
CID 165492
8-Chloroquinoline-3-carboxylic acid
CID 17039602
8-Methylquinoline-3-carboxylic acid
CID 17039621
8-Ethylquinoline-3-carboxylic acid
CID 17040061
7-Chloroquinoline-4-carboxylic acid
CID 610107
7-Chloroquinoline-8-carboxylic acid
CID 19026202
8-Chloro-5-quinolinecarboxylic acid
CID 283831
5-(4-Chlorophenyl)benzo[c][2,6]naphthyridine-7-carboxylic acid
CID 57394447

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride?
The IUPAC name of 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride (CID 70394889) is 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride.
What is the SMILES notation for 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride?
The canonical SMILES for 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride is Cl.O=C(O)c1c(Cl)ccc2cc(Cl)cnc12.
What is the InChIKey of 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride?
The InChIKey is RBYONTLXBDMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2.ClH/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6;/h1-4H,(H,14,15);1H.
What are the key properties of 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride?
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride has a molecular weight of 278.52 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloroquinoline-8-carboxylic acid;hydrochloride is sourced from PubChem (CID 70394889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).