4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide

C21H21ClFN3O4 — CID 89363640

IUPAC4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
SMILESCOCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)NCCF
InChIInChI=1S/C21H21ClFN3O4/c1-28-8-9-29-20-12-18-14(11-15(20)21(27)26-7-5-23)19(4-6-25-18)30-13-2-3-17(24)16(22)10-13/h2-4,6,10-12H,5,7-9,24H2,1H3,(H,26,27)
InChIKeyRPTBRIRJXYGTKP-UHFFFAOYSA-N
MW433.87 g/mol
LogP3.99
Rot. Bonds9

About 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide

4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide (PubChem CID 89363640) has the molecular formula C21H21ClFN3O4 and a molecular weight of 433.87 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
PubChem CID89363640
Molecular FormulaC21H21ClFN3O4
Molecular Weight433.87 g/mol
Exact Mass433.12
IUPAC Name4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
SMILESCOCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)NCCF
InChIInChI=1S/C21H21ClFN3O4/c1-28-8-9-29-20-12-18-14(11-15(20)21(27)26-7-5-23)19(4-6-25-18)30-13-2-3-17(24)16(22)10-13/h2-4,6,10-12H,5,7-9,24H2,1H3,(H,26,27)
InChIKeyRPTBRIRJXYGTKP-UHFFFAOYSA-N
XLogP3.99
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 53.99
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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Related Compounds

4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-[3-fluoro-4-(2-fluoroethylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 58930854
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N-ethyl-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 22936717
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 11540329
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
CID 11612547
4-[3-chloro-4-(ethylcarbamoylamino)phenoxy]-N-(2-cyanoethyl)-7-methoxyquinoline-6-carboxamide
CID 16718953
4-[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 142410632
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-(2-methoxyethoxy)quinoline-6-carboxylic acid
CID 58931191
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide (CID 89363640) is 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide is COCCOc1cc2nccc(Oc3ccc(N)c(Cl)c3)c2cc1C(=O)NCCF.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide?
The InChIKey is RPTBRIRJXYGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O4/c1-28-8-9-29-20-12-18-14(11-15(20)21(27)26-7-5-23)19(4-6-25-18)30-13-2-3-17(24)16(22)10-13/h2-4,6,10-12H,5,7-9,24H2,1H3,(H,26,27).
What are the key properties of 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide?
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 89363640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).