4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

C17H13ClFN3O3 — CID 154625444

IUPAC4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H13ClFN3O3/c1-24-15-7-13-9(6-10(15)17(21)23)14(2-3-22-13)25-8-4-11(18)16(20)12(19)5-8/h2-7H,20H2,1H3,(H2,21,23)
InChIKeyLEBRAFAAGWPCTD-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.51
Rot. Bonds4

About 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 154625444) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
PubChem CID154625444
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3cc(F)c(N)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C17H13ClFN3O3/c1-24-15-7-13-9(6-10(15)17(21)23)14(2-3-22-13)25-8-4-11(18)16(20)12(19)5-8/h2-7H,20H2,1H3,(H2,21,23)
InChIKeyLEBRAFAAGWPCTD-UHFFFAOYSA-N
XLogP3.51
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (CID 154625444) is 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3cc(F)c(N)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is LEBRAFAAGWPCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-24-15-7-13-9(6-10(15)17(21)23)14(2-3-22-13)25-8-4-11(18)16(20)12(19)5-8/h2-7H,20H2,1H3,(H2,21,23).
What are the key properties of 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chloro-5-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 154625444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).