5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid

C19H13Cl2N3O3 — CID 162751157

IUPAC5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2cc(N3C=NCC3)c3ccc(Cl)c(Cl)c3n2)ccc1O
InChIInChI=1S/C19H13Cl2N3O3/c20-13-3-2-11-15(24-6-5-22-9-24)8-14(23-18(11)17(13)21)10-1-4-16(25)12(7-10)19(26)27/h1-4,7-9,25H,5-6H2,(H,26,27)
InChIKeyJUWGPCMZTBGUMQ-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.46
Rot. Bonds3

About 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid

5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid (PubChem CID 162751157) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid
PubChem CID162751157
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2cc(N3C=NCC3)c3ccc(Cl)c(Cl)c3n2)ccc1O
InChIInChI=1S/C19H13Cl2N3O3/c20-13-3-2-11-15(24-6-5-22-9-24)8-14(23-18(11)17(13)21)10-1-4-16(25)12(7-10)19(26)27/h1-4,7-9,25H,5-6H2,(H,26,27)
InChIKeyJUWGPCMZTBGUMQ-UHFFFAOYSA-N
XLogP4.46
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid (CID 162751157) is 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(-c2cc(N3C=NCC3)c3ccc(Cl)c(Cl)c3n2)ccc1O.
What is the InChIKey of 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid?
The InChIKey is JUWGPCMZTBGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c20-13-3-2-11-15(24-6-5-22-9-24)8-14(23-18(11)17(13)21)10-1-4-16(25)12(7-10)19(26)27/h1-4,7-9,25H,5-6H2,(H,26,27).
What are the key properties of 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid?
5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid has a molecular weight of 402.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7,8-dichloro-4-(4,5-dihydroimidazol-1-yl)quinolin-2-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162751157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).