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

C17H10Cl2N4O2 — CID 162751524

IUPAC1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C17H10Cl2N4O2/c18-11-4-3-10-13(22-7-5-20-9-22)8-14(21-16(10)15(11)19)23-6-1-2-12(23)17(24)25/h1-9H,(H,24,25)
InChIKeyVBPQSOJGORLYON-UHFFFAOYSA-N
MW373.20 g/mol
LogP4.22
Rot. Bonds3

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

1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid (PubChem CID 162751524) has the molecular formula C17H10Cl2N4O2 and a molecular weight of 373.20 g/mol. Its IUPAC name is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid
PubChem CID162751524
Molecular FormulaC17H10Cl2N4O2
Molecular Weight373.20 g/mol
Exact Mass372.02
IUPAC Name1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1-c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1
InChIInChI=1S/C17H10Cl2N4O2/c18-11-4-3-10-13(22-7-5-20-9-22)8-14(21-16(10)15(11)19)23-6-1-2-12(23)17(24)25/h1-9H,(H,24,25)
InChIKeyVBPQSOJGORLYON-UHFFFAOYSA-N
XLogP4.22
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 175441445
(1S,3S,5S)-2-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 167396008
7,8-dichloro-2-(2,3-dihydroindol-1-yl)-4-imidazol-1-ylquinoline
CID 174164742
(2S,4R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-4-methylpyrrolidine-2-carboxylic acid
CID 162750282
N-[(3R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-yl]benzamide
CID 174164712
(2S,3S,4R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 162750830
7,8-dichloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-imidazol-1-ylquinoline
CID 174164707
4-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-2-methoxycarbonylpiperazine-1-carboxylic acid
CID 172749227
methyl (2R,3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-fluoropyrrolidine-2-carboxylate
CID 162750893
methyl (2R,3R)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-3-fluoropyrrolidine-2-carboxylate
CID 162750287
8-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 167396104
(3S)-1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrolidin-3-amine
CID 162750916

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid (CID 162751524) is 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1-c1cc(-n2ccnc2)c2ccc(Cl)c(Cl)c2n1.
What is the InChIKey of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid?
The InChIKey is VBPQSOJGORLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O2/c18-11-4-3-10-13(22-7-5-20-9-22)8-14(21-16(10)15(11)19)23-6-1-2-12(23)17(24)25/h1-9H,(H,24,25).
What are the key properties of 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid?
1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid has a molecular weight of 373.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloro-4-imidazol-1-ylquinolin-2-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 162751524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).