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

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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).