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Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate

C24H17Cl2N3O5 — CID 142410655

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACphenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)c2cc1C(N)=O
InChIInChI=1S/C24H17Cl2N3O5/c1-32-20-12-17-14(11-15(20)23(27)30)18(9-10-28-17)34-19-8-7-16(21(25)22(19)26)29-24(31)33-13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,30)(H,29,31)
InChIKeyIDDHQDGUKLYXJN-UHFFFAOYSA-N
MW498.32 g/mol
LogP6.05
Rot. Bonds6

About Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate

Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate (PubChem CID 142410655) has the molecular formula C24H17Cl2N3O5 and a molecular weight of 498.32 g/mol. Its IUPAC name is phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate.

Molecular Properties

Compound NamePhenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate
PubChem CID142410655
Molecular FormulaC24H17Cl2N3O5
Molecular Weight498.32 g/mol
Exact Mass497.05
IUPAC Namephenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)c2cc1C(N)=O
InChIInChI=1S/C24H17Cl2N3O5/c1-32-20-12-17-14(11-15(20)23(27)30)18(9-10-28-17)34-19-8-7-16(21(25)22(19)26)29-24(31)33-13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,30)(H,29,31)
InChIKeyIDDHQDGUKLYXJN-UHFFFAOYSA-N
XLogP6.05
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.32
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate?
The IUPAC name of Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate (CID 142410655) is phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate.
What is the SMILES notation for Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate?
The canonical SMILES for Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate is COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3Cl)c2cc1C(N)=O.
What is the InChIKey of Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate?
The InChIKey is IDDHQDGUKLYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O5/c1-32-20-12-17-14(11-15(20)23(27)30)18(9-10-28-17)34-19-8-7-16(21(25)22(19)26)29-24(31)33-13-5-3-2-4-6-13/h2-12H,1H3,(H2,27,30)(H,29,31).
What are the key properties of Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate?
Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate has a molecular weight of 498.32 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2,3-dichlorophenyl]carbamate is sourced from PubChem (CID 142410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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