phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate

C27H23Cl2N3O6 — CID 142410699

IUPACphenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC
InChIInChI=1S/C27H23Cl2N3O6/c1-30-26(33)18-14-17-20(15-23(18)36-13-12-35-2)31-11-10-21(17)38-22-9-8-19(24(28)25(22)29)32-27(34)37-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyONEUDFNWQMVMHE-UHFFFAOYSA-N
MW556.40 g/mol
LogP6.33
Rot. Bonds9

About phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate

phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate (PubChem CID 142410699) has the molecular formula C27H23Cl2N3O6 and a molecular weight of 556.40 g/mol. Its IUPAC name is phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate
PubChem CID142410699
Molecular FormulaC27H23Cl2N3O6
Molecular Weight556.40 g/mol
Exact Mass555.10
IUPAC Namephenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC
InChIInChI=1S/C27H23Cl2N3O6/c1-30-26(33)18-14-17-20(15-23(18)36-13-12-35-2)31-11-10-21(17)38-22-9-8-19(24(28)25(22)29)32-27(34)37-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyONEUDFNWQMVMHE-UHFFFAOYSA-N
XLogP6.33
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.40
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate?
The IUPAC name of phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate (CID 142410699) is phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate?
The canonical SMILES for phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate is CNC(=O)c1cc2c(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)ccnc2cc1OCCOC.
What is the InChIKey of phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate?
The InChIKey is ONEUDFNWQMVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O6/c1-30-26(33)18-14-17-20(15-23(18)36-13-12-35-2)31-11-10-21(17)38-22-9-8-19(24(28)25(22)29)32-27(34)37-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate?
phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate has a molecular weight of 556.40 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2,3-dichloro-4-[7-(2-methoxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamate is sourced from PubChem (CID 142410699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).