6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C16H13Cl2NO2 — CID 22745096

IUPAC6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Cl)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H13Cl2NO2/c17-10-3-1-9(2-4-10)12-8-15(16(20)21)19-14-6-5-11(18)7-13(12)14/h1-7,12,15,19H,8H2,(H,20,21)
InChIKeyCRVWYSBICJCDQC-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.39
Rot. Bonds2

About 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 22745096) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID22745096
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Cl)cc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C16H13Cl2NO2/c17-10-3-1-9(2-4-10)12-8-15(16(20)21)19-14-6-5-11(18)7-13(12)14/h1-7,12,15,19H,8H2,(H,20,21)
InChIKeyCRVWYSBICJCDQC-UHFFFAOYSA-N
XLogP4.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 22745096) is 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)C1CC(c2ccc(Cl)cc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is CRVWYSBICJCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-10-3-1-9(2-4-10)12-8-15(16(20)21)19-14-6-5-11(18)7-13(12)14/h1-7,12,15,19H,8H2,(H,20,21).
What are the key properties of 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 322.19 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 22745096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).