3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide

C23H19N5O2 — CID 54194736

IUPAC3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3ccc(=O)n(-c4cccc(/C(N)=N/[H])c4)c3c2)c1
InChIInChI=1S/C23H19N5O2/c24-22(25)15-3-1-5-17(11-15)28-20-13-19(9-7-14(20)8-10-21(28)29)30-18-6-2-4-16(12-18)23(26)27/h1-13H,(H3,24,25)(H3,26,27)
InChIKeyPKZVVSLQFZRWIN-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.35
Rot. Bonds5

About 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide

3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide (PubChem CID 54194736) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide
PubChem CID54194736
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3ccc(=O)n(-c4cccc(/C(N)=N/[H])c4)c3c2)c1
InChIInChI=1S/C23H19N5O2/c24-22(25)15-3-1-5-17(11-15)28-20-13-19(9-7-14(20)8-10-21(28)29)30-18-6-2-4-16(12-18)23(26)27/h1-13H,(H3,24,25)(H3,26,27)
InChIKeyPKZVVSLQFZRWIN-UHFFFAOYSA-N
XLogP3.35
TPSA130.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[[6-(3-Carbamimidoylphenoxy)-4-methyl-2-oxoquinolin-1-yl]methyl]benzenecarboximidamide
CID 9910290
3-[1-[(4-Carbamimidoylphenyl)methyl]-4-methyl-2-oxoquinolin-6-yl]oxybenzenecarboximidamide
CID 11166188
3-[[7-(3-Carbamimidoylphenoxy)-4-methyl-2-oxoquinolin-1-yl]methyl]benzenecarboximidamide
CID 53649254
3-[[7-(3-Carbamimidoylphenoxy)-2-oxoquinolin-1-yl]methyl]benzenecarboximidamide
CID 53676364
3-[[1-[(4-Carbamimidoylphenyl)methyl]-2-oxoquinolin-6-yl]oxymethyl]benzenecarboximidamide
CID 53713872
3-[[1-[(4-Carbamimidoylphenyl)methyl]-2-oxoquinolin-7-yl]oxymethyl]benzenecarboximidamide
CID 53858190
3-[[6-(3-Carbamimidoylphenoxy)-2-oxoquinolin-1-yl]methyl]benzenecarboximidamide
CID 53951417
7-(3-Carbamimidoylphenoxy)-1-[(3-carbamimidoylphenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 53980428
3-[[7-[(3-Carbamimidoylphenyl)methoxy]-2-oxoquinolin-1-yl]methyl]benzenecarboximidamide
CID 54039616
3-[1-[(4-Carbamimidoylphenyl)methyl]-2-oxoquinolin-7-yl]oxybenzenecarboximidamide
CID 54050934
7-(3-Carbamimidoylphenoxy)-1-[(3-carbamimidoylphenyl)methyl]-2-oxoquinoline-4-carboxylic acid
CID 54076588
2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide
CID 54084013

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide?
The IUPAC name of 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide (CID 54194736) is 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide?
The canonical SMILES for 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2ccc3ccc(=O)n(-c4cccc(/C(N)=N/[H])c4)c3c2)c1.
What is the InChIKey of 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide?
The InChIKey is PKZVVSLQFZRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-22(25)15-3-1-5-17(11-15)28-20-13-19(9-7-14(20)8-10-21(28)29)30-18-6-2-4-16(12-18)23(26)27/h1-13H,(H3,24,25)(H3,26,27).
What are the key properties of 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide?
3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide has a molecular weight of 397.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 54194736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).