7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide

C19H12Cl2N4O6 — CID 130216670

IUPAC7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC(=O)N=O)c(N=O)c2ccc(Oc3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C19H12Cl2N4O6/c1-25-12-7-9(31-13-4-2-3-11(20)16(13)21)5-6-10(12)17(24-30)15(19(25)28)18(27)22-8-14(26)23-29/h2-7H,8H2,1H3,(H,22,27)
InChIKeyLPIRBYXBKTVCDK-UHFFFAOYSA-N
MW463.23 g/mol
LogP4.06
Rot. Bonds6

About 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide

7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide (PubChem CID 130216670) has the molecular formula C19H12Cl2N4O6 and a molecular weight of 463.23 g/mol. Its IUPAC name is 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide
PubChem CID130216670
Molecular FormulaC19H12Cl2N4O6
Molecular Weight463.23 g/mol
Exact Mass462.01
IUPAC Name7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC(=O)N=O)c(N=O)c2ccc(Oc3cccc(Cl)c3Cl)cc21
InChIInChI=1S/C19H12Cl2N4O6/c1-25-12-7-9(31-13-4-2-3-11(20)16(13)21)5-6-10(12)17(24-30)15(19(25)28)18(27)22-8-14(26)23-29/h2-7H,8H2,1H3,(H,22,27)
InChIKeyLPIRBYXBKTVCDK-UHFFFAOYSA-N
XLogP4.06
TPSA136.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-7-(4-chloro-3-ethylphenoxy)-1-methyl-4-nitroso-2-oxoquinoline-3-carboxamide
CID 130216863
2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096
4-[7-(2-chloro-3-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 161384700
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481
methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 130194527
4-[7-(2-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 157266952
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
butyl 2-[(7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetate
CID 86643521
[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545906
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide (CID 130216670) is 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCC(=O)N=O)c(N=O)c2ccc(Oc3cccc(Cl)c3Cl)cc21.
What is the InChIKey of 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is LPIRBYXBKTVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4O6/c1-25-12-7-9(31-13-4-2-3-11(20)16(13)21)5-6-10(12)17(24-30)15(19(25)28)18(27)22-8-14(26)23-29/h2-7H,8H2,1H3,(H,22,27).
What are the key properties of 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide?
7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 463.23 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichlorophenoxy)-1-methyl-4-nitroso-N-(2-nitroso-2-oxoethyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 130216670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).