N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide

C25H21N3O5 — CID 55946831

IUPACN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C25H21N3O5/c1-32-21-11-4-5-12-22(21)33-15-23(29)26-17-8-6-9-18(14-17)27-24(30)19-13-16-7-2-3-10-20(16)28-25(19)31/h2-14H,15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyJPZQDAXQILZHDX-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.81
Rot. Bonds7

About N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 55946831) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID55946831
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C25H21N3O5/c1-32-21-11-4-5-12-22(21)33-15-23(29)26-17-8-6-9-18(14-17)27-24(30)19-13-16-7-2-3-10-20(16)28-25(19)31/h2-14H,15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyJPZQDAXQILZHDX-UHFFFAOYSA-N
XLogP3.81
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 60552543
2,5-dimethoxy-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 55886827
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 155903060
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55728032
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 55946831) is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JPZQDAXQILZHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-32-21-11-4-5-12-22(21)33-15-23(29)26-17-8-6-9-18(14-17)27-24(30)19-13-16-7-2-3-10-20(16)28-25(19)31/h2-14H,15H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55946831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).