6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid

C12H11Cl2NO2 — CID 82625815

IUPAC6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1c2cc(Cl)cc(Cl)c2NCC12CC2
InChIInChI=1S/C12H11Cl2NO2/c13-6-3-7-9(11(16)17)12(1-2-12)5-15-10(7)8(14)4-6/h3-4,9,15H,1-2,5H2,(H,16,17)
InChIKeyZDQSQDDWESXBSG-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.37
Rot. Bonds1

About 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid

6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid (PubChem CID 82625815) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
PubChem CID82625815
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1c2cc(Cl)cc(Cl)c2NCC12CC2
InChIInChI=1S/C12H11Cl2NO2/c13-6-3-7-9(11(16)17)12(1-2-12)5-15-10(7)8(14)4-6/h3-4,9,15H,1-2,5H2,(H,16,17)
InChIKeyZDQSQDDWESXBSG-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid with MolForge

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Related Compounds

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
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
6,8-Dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22638956
(2S,3R)-6,8-dichloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 69768411
8-Chloro-5-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82626778
4-amino-8-chloro-6-fluoro-2,3-dihydro-1H-quinoline-4-carboxylic acid
CID 83672474
8-Chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 83672534
Methyl 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 131526064

Frequently Asked Questions

What is the IUPAC name of 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The IUPAC name of 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid (CID 82625815) is 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid.
What is the SMILES notation for 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The canonical SMILES for 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid is O=C(O)C1c2cc(Cl)cc(Cl)c2NCC12CC2.
What is the InChIKey of 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
The InChIKey is ZDQSQDDWESXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c13-6-3-7-9(11(16)17)12(1-2-12)5-15-10(7)8(14)4-6/h3-4,9,15H,1-2,5H2,(H,16,17).
What are the key properties of 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid?
6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid has a molecular weight of 272.13 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichlorospiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-carboxylic acid is sourced from PubChem (CID 82625815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).