6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

C11H11Cl2NO2 — CID 82623832

IUPAC6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCN1CCC(C(=O)O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H11Cl2NO2/c1-14-3-2-7(11(15)16)8-4-6(12)5-9(13)10(8)14/h4-5,7H,2-3H2,1H3,(H,15,16)
InChIKeySRALPPLKJZFAGN-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.00
Rot. Bonds1

About 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 82623832) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID82623832
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCN1CCC(C(=O)O)c2cc(Cl)cc(Cl)c21
InChIInChI=1S/C11H11Cl2NO2/c1-14-3-2-7(11(15)16)8-4-6(12)5-9(13)10(8)14/h4-5,7H,2-3H2,1H3,(H,15,16)
InChIKeySRALPPLKJZFAGN-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pirprofen
CID 35935
Propionic acid, 2-(3-chloro-4-piperidinophenyl)-
CID 213514
6,8-Dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
CID 2865731
2-(8-Chloro-2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285337
2-(8-Chloro-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285347
1-Methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid hydrochloride
CID 122163982
2-(8-Chloro-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44284966
2-(8-Chloro-2-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285324
2-(8-Chloro-2-propyl-1,2,3,4-tetrahydroquinolin-6-yl)acetic acid
CID 44285335
2-(2-(2,6-Dichloro-N-ethylanilino)phenyl)acetic acid
CID 187854
2-[8-chloro-1-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]acetic acid
CID 18959614
2-(8-Chloro-2,3,4-trifluoro-1,2-dimethyl-3,4-dihydroquinolin-6-yl)acetic acid
CID 88150221

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 82623832) is 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is CN1CCC(C(=O)O)c2cc(Cl)cc(Cl)c21.
What is the InChIKey of 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is SRALPPLKJZFAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-14-3-2-7(11(15)16)8-4-6(12)5-9(13)10(8)14/h4-5,7H,2-3H2,1H3,(H,15,16).
What are the key properties of 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 260.12 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 82623832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).