2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid

C25H19N3O2 — CID 68775712

IUPAC2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4cnc5ccccc5c4)cc23)cc1
InChIInChI=1S/C25H19N3O2/c1-15(25(29)30)16-6-8-17(9-7-16)22-14-28-24-21(22)11-20(13-27-24)19-10-18-4-2-3-5-23(18)26-12-19/h2-15H,1H3,(H,27,28)(H,29,30)
InChIKeyYETUDUDBSVRATK-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.63
Rot. Bonds4

About 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid

2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid (PubChem CID 68775712) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
PubChem CID68775712
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4cnc5ccccc5c4)cc23)cc1
InChIInChI=1S/C25H19N3O2/c1-15(25(29)30)16-6-8-17(9-7-16)22-14-28-24-21(22)11-20(13-27-24)19-10-18-4-2-3-5-23(18)26-12-19/h2-15H,1H3,(H,27,28)(H,29,30)
InChIKeyYETUDUDBSVRATK-UHFFFAOYSA-N
XLogP5.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
1-(4-quinolin-3-ylphenyl)ethanamine
CID 61025772
2-[[2-carboxy-2-(4-quinolin-3-ylphenyl)ethyl]amino]-4-methylpentanoic acid
CID 70085837
N-[(1S)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883224
N-[(1R)-1-(4-methylphenyl)ethyl]-3-quinolin-3-ylbenzamide
CID 92883223
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
1-[4-[[4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 141403762
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
(1R)-N,N-dimethyl-1-(4-quinolin-3-ylphenyl)ethanamine
CID 95141509
5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
CID 146332413
2-(4-quinolin-3-ylphenyl)butanamide
CID 66578057
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid (CID 68775712) is 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2c[nH]c3ncc(-c4cnc5ccccc5c4)cc23)cc1.
What is the InChIKey of 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
The InChIKey is YETUDUDBSVRATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-15(25(29)30)16-6-8-17(9-7-16)22-14-28-24-21(22)11-20(13-27-24)19-10-18-4-2-3-5-23(18)26-12-19/h2-15H,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid?
2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid has a molecular weight of 393.45 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-quinolin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 68775712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).