2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide

C19H18N4O3 — CID 54084013

IUPAC2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3c(C)c(CC(N)=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H18N4O3/c1-10-14-6-5-13(26-12-4-2-3-11(7-12)18(21)22)8-16(14)23-19(25)15(10)9-17(20)24/h2-8H,9H2,1H3,(H2,20,24)(H3,21,22)(H,23,25)
InChIKeyMPCSWCLDXLFCJF-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide

2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide (PubChem CID 54084013) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide
PubChem CID54084013
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccc3c(C)c(CC(N)=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H18N4O3/c1-10-14-6-5-13(26-12-4-2-3-11(7-12)18(21)22)8-16(14)23-19(25)15(10)9-17(20)24/h2-8H,9H2,1H3,(H2,20,24)(H3,21,22)(H,23,25)
InChIKeyMPCSWCLDXLFCJF-UHFFFAOYSA-N
XLogP1.94
TPSA135.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(2Z)-2-hydroxyimino-2-phenylethoxy]-1H-quinolin-2-one
CID 44436437
7-[(2Z)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-1H-quinolin-2-one
CID 44436460
3-Benzyl-4-methyl-2-oxo-1,2-dihydro-7-quinolinyl acetate
CID 24052131
7-methoxy-4-(3-methoxyphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 9922559
4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)butanamide
CID 17789051
N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide
CID 20563550
7-[3-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
CID 23330435
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-7-yl]oxybenzenecarboximidamide
CID 54050934
2-[7-(3-Carbamimidoylphenoxy)-1-[(3-carbamimidoylphenyl)methyl]-4-methyl-2-oxoquinolin-3-yl]acetamide
CID 54169633
3-[7-(3-Carbamimidoylphenoxy)-2-oxoquinolin-1-yl]benzenecarboximidamide
CID 54194736

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide?
The IUPAC name of 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide (CID 54084013) is 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide.
What is the SMILES notation for 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide?
The canonical SMILES for 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide is [H]/N=C(\N)c1cccc(Oc2ccc3c(C)c(CC(N)=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide?
The InChIKey is MPCSWCLDXLFCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-10-14-6-5-13(26-12-4-2-3-11(7-12)18(21)22)8-16(14)23-19(25)15(10)9-17(20)24/h2-8H,9H2,1H3,(H2,20,24)(H3,21,22)(H,23,25).
What are the key properties of 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide?
2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-carbamimidoylphenoxy)-4-methyl-2-oxo-1H-quinolin-3-yl]acetamide is sourced from PubChem (CID 54084013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).