8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid

C20H19N3O3 — CID 68935629

IUPAC8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
SMILESCCC(=O)O.Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)c1
InChIInChI=1S/C17H13N3O.C3H6O2/c18-12-3-1-2-10(8-12)11-4-5-15-14(9-11)13-6-7-19-16(13)17(21)20-15;1-2-3(4)5/h1-9,19H,18H2,(H,20,21);2H2,1H3,(H,4,5)
InChIKeyOJOWBCZKPAHRGP-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds2

About 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid

8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid (PubChem CID 68935629) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid.

Molecular Properties

Compound Name8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
PubChem CID68935629
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid
SMILESCCC(=O)O.Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)c1
InChIInChI=1S/C17H13N3O.C3H6O2/c18-12-3-1-2-10(8-12)11-4-5-15-14(9-11)13-6-7-19-16(13)17(21)20-15;1-2-3(4)5/h1-9,19H,18H2,(H,20,21);2H2,1H3,(H,4,5)
InChIKeyOJOWBCZKPAHRGP-UHFFFAOYSA-N
XLogP3.74
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The IUPAC name of 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid (CID 68935629) is 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid.
What is the SMILES notation for 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The canonical SMILES for 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid is CCC(=O)O.Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)c1.
What is the InChIKey of 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
The InChIKey is OJOWBCZKPAHRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.C3H6O2/c18-12-3-1-2-10(8-12)11-4-5-15-14(9-11)13-6-7-19-16(13)17(21)20-15;1-2-3(4)5/h1-9,19H,18H2,(H,20,21);2H2,1H3,(H,4,5).
What are the key properties of 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid?
8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminophenyl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one;propanoic acid is sourced from PubChem (CID 68935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).