4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

C19H17ClFN3O4 — CID 174194248

IUPAC4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCCOc1c(Cl)c(N)cc(F)c1Oc1ccnc2cc(OC)c(C(N)=O)cc12
InChIInChI=1S/C19H17ClFN3O4/c1-3-27-18-16(20)12(22)7-11(21)17(18)28-14-4-5-24-13-8-15(26-2)10(19(23)25)6-9(13)14/h4-8H,3,22H2,1-2H3,(H2,23,25)
InChIKeyFOXXPKVKGUXDAM-UHFFFAOYSA-N
MW405.81 g/mol
LogP3.91
Rot. Bonds6

About 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide

4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (PubChem CID 174194248) has the molecular formula C19H17ClFN3O4 and a molecular weight of 405.81 g/mol. Its IUPAC name is 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
PubChem CID174194248
Molecular FormulaC19H17ClFN3O4
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC Name4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide
SMILESCCOc1c(Cl)c(N)cc(F)c1Oc1ccnc2cc(OC)c(C(N)=O)cc12
InChIInChI=1S/C19H17ClFN3O4/c1-3-27-18-16(20)12(22)7-11(21)17(18)28-14-4-5-24-13-8-15(26-2)10(19(23)25)6-9(13)14/h4-8H,3,22H2,1-2H3,(H2,23,25)
InChIKeyFOXXPKVKGUXDAM-UHFFFAOYSA-N
XLogP3.91
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-[3-chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 147640053
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3,5-difluorophenyl]pyridine-3-carboxamide
CID 175908319
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 11268045
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide (CID 174194248) is 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is CCOc1c(Cl)c(N)cc(F)c1Oc1ccnc2cc(OC)c(C(N)=O)cc12.
What is the InChIKey of 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
The InChIKey is FOXXPKVKGUXDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O4/c1-3-27-18-16(20)12(22)7-11(21)17(18)28-14-4-5-24-13-8-15(26-2)10(19(23)25)6-9(13)14/h4-8H,3,22H2,1-2H3,(H2,23,25).
What are the key properties of 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide?
4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide has a molecular weight of 405.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chloro-2-ethoxy-6-fluorophenoxy)-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 174194248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).