6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid

C26H24N6O4 — CID 176516619

IUPAC6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCCCn1cc(-n2cc(C(=O)Nc3cccc(C(=O)O)n3)c3c4ccccc4n(CC)c(=O)c32)cn1
InChIInChI=1S/C26H24N6O4/c1-3-12-30-14-16(13-27-30)32-15-18(24(33)29-21-11-7-9-19(28-21)26(35)36)22-17-8-5-6-10-20(17)31(4-2)25(34)23(22)32/h5-11,13-15H,3-4,12H2,1-2H3,(H,35,36)(H,28,29,33)
InChIKeyOZVFGJJVSMIDKS-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.92
Rot. Bonds7

About 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid

6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 176516619) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID176516619
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCCCn1cc(-n2cc(C(=O)Nc3cccc(C(=O)O)n3)c3c4ccccc4n(CC)c(=O)c32)cn1
InChIInChI=1S/C26H24N6O4/c1-3-12-30-14-16(13-27-30)32-15-18(24(33)29-21-11-7-9-19(28-21)26(35)36)22-17-8-5-6-10-20(17)31(4-2)25(34)23(22)32/h5-11,13-15H,3-4,12H2,1-2H3,(H,35,36)(H,28,29,33)
InChIKeyOZVFGJJVSMIDKS-UHFFFAOYSA-N
XLogP3.92
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid (CID 176516619) is 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid is CCCn1cc(-n2cc(C(=O)Nc3cccc(C(=O)O)n3)c3c4ccccc4n(CC)c(=O)c32)cn1.
What is the InChIKey of 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OZVFGJJVSMIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-3-12-30-14-16(13-27-30)32-15-18(24(33)29-21-11-7-9-19(28-21)26(35)36)22-17-8-5-6-10-20(17)31(4-2)25(34)23(22)32/h5-11,13-15H,3-4,12H2,1-2H3,(H,35,36)(H,28,29,33).
What are the key properties of 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid?
6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 484.52 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-ethyl-4-oxo-3-(1-propylpyrazol-4-yl)pyrrolo[2,3-c]quinoline-1-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 176516619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).