4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide

C20H19Cl2N3O4 — CID 142410564

IUPAC4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC
InChIInChI=1S/C20H19Cl2N3O4/c1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22/h3-6,9-10H,7-8,23H2,1-2H3,(H,24,26)
InChIKeyRDSLGFIJFZQZSM-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.30
Rot. Bonds7

About 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide

4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide (PubChem CID 142410564) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
PubChem CID142410564
Molecular FormulaC20H19Cl2N3O4
Molecular Weight436.30 g/mol
Exact Mass435.08
IUPAC Name4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC
InChIInChI=1S/C20H19Cl2N3O4/c1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22/h3-6,9-10H,7-8,23H2,1-2H3,(H,24,26)
InChIKeyRDSLGFIJFZQZSM-UHFFFAOYSA-N
XLogP4.30
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide (CID 142410564) is 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide is CNC(=O)c1cc2c(Oc3ccc(N)c(Cl)c3Cl)ccnc2cc1OCCOC.
What is the InChIKey of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
The InChIKey is RDSLGFIJFZQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c1-24-20(26)12-9-11-14(10-17(12)28-8-7-27-2)25-6-5-15(11)29-16-4-3-13(23)18(21)19(16)22/h3-6,9-10H,7-8,23H2,1-2H3,(H,24,26).
What are the key properties of 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide?
4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,3-dichlorophenoxy)-7-(2-methoxyethoxy)-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 142410564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).