N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide

C21H19ClN4O5 — CID 130216863

IUPACN-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide
SMILESCCc1cc(Oc2ccc3c(N=O)c(C(=O)NCC(N)=O)c(=O)n(C)c3c2)ccc1Cl
InChIInChI=1S/C21H19ClN4O5/c1-3-11-8-12(5-7-15(11)22)31-13-4-6-14-16(9-13)26(2)21(29)18(19(14)25-30)20(28)24-10-17(23)27/h4-9H,3,10H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyFFZHNZPFVALNHD-UHFFFAOYSA-N
MW442.86 g/mol
LogP3.16
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide

N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide (PubChem CID 130216863) has the molecular formula C21H19ClN4O5 and a molecular weight of 442.86 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide
PubChem CID130216863
Molecular FormulaC21H19ClN4O5
Molecular Weight442.86 g/mol
Exact Mass442.10
IUPAC NameN-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide
SMILESCCc1cc(Oc2ccc3c(N=O)c(C(=O)NCC(N)=O)c(=O)n(C)c3c2)ccc1Cl
InChIInChI=1S/C21H19ClN4O5/c1-3-11-8-12(5-7-15(11)22)31-13-4-6-14-16(9-13)26(2)21(29)18(19(14)25-30)20(28)24-10-17(23)27/h4-9H,3,10H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyFFZHNZPFVALNHD-UHFFFAOYSA-N
XLogP3.16
TPSA132.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide 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

7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide
CID 130216670
2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
2-chloro-4-(4-chloro-3-ethylphenoxy)benzenecarbothioamide
CID 63518433
methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 130194527
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096
butyl 2-[(7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 86643521
7-(3,4-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 166804674
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide (CID 130216863) is N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide is CCc1cc(Oc2ccc3c(N=O)c(C(=O)NCC(N)=O)c(=O)n(C)c3c2)ccc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide?
The InChIKey is FFZHNZPFVALNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O5/c1-3-11-8-12(5-7-15(11)22)31-13-4-6-14-16(9-13)26(2)21(29)18(19(14)25-30)20(28)24-10-17(23)27/h4-9H,3,10H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide?
N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide has a molecular weight of 442.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 130216863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).