5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid

C23H15Cl2N3O3 — CID 15871719

IUPAC5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)N(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C23H15Cl2N3O3/c24-14-11-17(25)21-18(12-14)26-20(22(29)30)13-19(21)27-23(31)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,29,30)(H,26,27,31)
InChIKeyOJDVCDQJKKEPIQ-UHFFFAOYSA-N
MW452.30 g/mol
LogP6.61
Rot. Bonds4

About 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid

5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid (PubChem CID 15871719) has the molecular formula C23H15Cl2N3O3 and a molecular weight of 452.30 g/mol. Its IUPAC name is 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid
PubChem CID15871719
Molecular FormulaC23H15Cl2N3O3
Molecular Weight452.30 g/mol
Exact Mass451.05
IUPAC Name5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)N(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C23H15Cl2N3O3/c24-14-11-17(25)21-18(12-14)26-20(22(29)30)13-19(21)27-23(31)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,29,30)(H,26,27,31)
InChIKeyOJDVCDQJKKEPIQ-UHFFFAOYSA-N
XLogP6.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.30
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid (CID 15871719) is 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid is O=C(O)c1cc(NC(=O)N(c2ccccc2)c2ccccc2)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid?
The InChIKey is OJDVCDQJKKEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O3/c24-14-11-17(25)21-18(12-14)26-20(22(29)30)13-19(21)27-23(31)28(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,29,30)(H,26,27,31).
What are the key properties of 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid?
5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid has a molecular weight of 452.30 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-(diphenylcarbamoylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 15871719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).