2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid

C17H17N3O3 — CID 69380131

IUPAC2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
SMILESCCCC1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIInChI=1S/C17H17N3O3/c1-3-8-17(2)16(23)19-14(20-17)13-11(15(21)22)9-10-6-4-5-7-12(10)18-13/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyGQKODQCKYWKULB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid

2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid (PubChem CID 69380131) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
PubChem CID69380131
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
SMILESCCCC1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIInChI=1S/C17H17N3O3/c1-3-8-17(2)16(23)19-14(20-17)13-11(15(21)22)9-10-6-4-5-7-12(10)18-13/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyGQKODQCKYWKULB-UHFFFAOYSA-N
XLogP2.37
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid?
The IUPAC name of 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid (CID 69380131) is 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid?
The canonical SMILES for 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid is CCCC1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O.
What is the InChIKey of 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid?
The InChIKey is GQKODQCKYWKULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-8-17(2)16(23)19-14(20-17)13-11(15(21)22)9-10-6-4-5-7-12(10)18-13/h4-7,9H,3,8H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid?
2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-4-propyl-1H-imidazol-2-yl)quinoline-3-carboxylic acid is sourced from PubChem (CID 69380131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).