1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid

C17H14Cl2N4O3 — CID 175441445

IUPAC1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(O)CCN1c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C17H14Cl2N4O3/c18-10-2-1-9-11(22-6-4-20-8-22)7-13(21-15(9)14(10)19)23-5-3-12(24)16(23)17(25)26/h1-2,4,6-8,12,16,24H,3,5H2,(H,25,26)
InChIKeyGJFLTBLNBIRKAM-UHFFFAOYSA-N
MW393.23 g/mol
LogP2.75
Rot. Bonds3

About 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid

1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 175441445) has the molecular formula C17H14Cl2N4O3 and a molecular weight of 393.23 g/mol. Its IUPAC name is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID175441445
Molecular FormulaC17H14Cl2N4O3
Molecular Weight393.23 g/mol
Exact Mass392.04
IUPAC Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1C(O)CCN1c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C17H14Cl2N4O3/c18-10-2-1-9-11(22-6-4-20-8-22)7-13(21-15(9)14(10)19)23-5-3-12(24)16(23)17(25)26/h1-2,4,6-8,12,16,24H,3,5H2,(H,25,26)
InChIKeyGJFLTBLNBIRKAM-UHFFFAOYSA-N
XLogP2.75
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid (CID 175441445) is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1C(O)CCN1c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GJFLTBLNBIRKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3/c18-10-2-1-9-11(22-6-4-20-8-22)7-13(21-15(9)14(10)19)23-5-3-12(24)16(23)17(25)26/h1-2,4,6-8,12,16,24H,3,5H2,(H,25,26).
What are the key properties of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid?
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 393.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175441445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).