N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide

C25H21ClN2O4 — CID 60586135

IUPACN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21ClN2O4/c1-2-31-18-8-10-19(11-9-18)32-24-12-7-17(26)15-21(24)27-25(30)16-28-14-13-23(29)20-5-3-4-6-22(20)28/h3-15H,2,16H2,1H3,(H,27,30)
InChIKeyXVWQHZAOGBLORP-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.48
Rot. Bonds7

About N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 60586135) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID60586135
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C25H21ClN2O4/c1-2-31-18-8-10-19(11-9-18)32-24-12-7-17(26)15-21(24)27-25(30)16-28-14-13-23(29)20-5-3-4-6-22(20)28/h3-15H,2,16H2,1H3,(H,27,30)
InChIKeyXVWQHZAOGBLORP-UHFFFAOYSA-N
XLogP5.48
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]acetamide
CID 55468975
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
CID 55733911
N-(5-chloro-2-phenoxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 126273412
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55366052
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 60567548

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 60586135) is N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2ccc(=O)c3ccccc32)cc1.
What is the InChIKey of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is XVWQHZAOGBLORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-2-31-18-8-10-19(11-9-18)32-24-12-7-17(26)15-21(24)27-25(30)16-28-14-13-23(29)20-5-3-4-6-22(20)28/h3-15H,2,16H2,1H3,(H,27,30).
What are the key properties of N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 448.91 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 60586135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).