2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid

C18H15ClFNO2 — CID 56592835

IUPAC2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CC1)CC(c1cc(Cl)ccc1F)N2
InChIInChI=1S/C18H15ClFNO2/c19-11-2-3-14(20)12(8-11)16-9-18(5-6-18)13-7-10(17(22)23)1-4-15(13)21-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,23)
InChIKeyJMGBSTXDZUIRDW-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.77
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid

2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid (PubChem CID 56592835) has the molecular formula C18H15ClFNO2 and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid
PubChem CID56592835
Molecular FormulaC18H15ClFNO2
Molecular Weight331.77 g/mol
Exact Mass331.08
IUPAC Name2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1(CC1)CC(c1cc(Cl)ccc1F)N2
InChIInChI=1S/C18H15ClFNO2/c19-11-2-3-14(20)12(8-11)16-9-18(5-6-18)13-7-10(17(22)23)1-4-15(13)21-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,23)
InChIKeyJMGBSTXDZUIRDW-UHFFFAOYSA-N
XLogP4.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid (CID 56592835) is 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid is O=C(O)c1ccc2c(c1)C1(CC1)CC(c1cc(Cl)ccc1F)N2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid?
The InChIKey is JMGBSTXDZUIRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2/c19-11-2-3-14(20)12(8-11)16-9-18(5-6-18)13-7-10(17(22)23)1-4-15(13)21-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,23).
What are the key properties of 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid?
2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid has a molecular weight of 331.77 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-carboxylic acid is sourced from PubChem (CID 56592835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).