sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate

C23H14FN4NaO3 — CID 23711331

IUPACsodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
SMILESN#Cc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ccnc2cc1[O-].[Na+]
InChIInChI=1S/C23H15FN4O3.Na/c24-15-1-3-16(4-2-15)27-23(30)28-17-5-7-18(8-6-17)31-22-9-10-26-20-12-21(29)14(13-25)11-19(20)22;/h1-12,29H,(H2,27,28,30);/q;+1/p-1
InChIKeyDQWNRXQBGVKJDX-UHFFFAOYSA-M
MW436.38 g/mol
LogP1.76
Rot. Bonds4

About sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate

sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate (PubChem CID 23711331) has the molecular formula C23H14FN4NaO3 and a molecular weight of 436.38 g/mol. Its IUPAC name is sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate.

Molecular Properties

Compound Namesodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
PubChem CID23711331
Molecular FormulaC23H14FN4NaO3
Molecular Weight436.38 g/mol
Exact Mass436.09
IUPAC Namesodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate
SMILESN#Cc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ccnc2cc1[O-].[Na+]
InChIInChI=1S/C23H15FN4O3.Na/c24-15-1-3-16(4-2-15)27-23(30)28-17-5-7-18(8-6-17)31-22-9-10-26-20-12-21(29)14(13-25)11-19(20)22;/h1-12,29H,(H2,27,28,30);/q;+1/p-1
InChIKeyDQWNRXQBGVKJDX-UHFFFAOYSA-M
XLogP1.76
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 1-[4-(6-cyano-7-hydroxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 135829377
sodium 4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]-6-isocyanoquinolin-7-olate
CID 58931025
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-[6-cyano-7-[2-(diethylamino)-2-hydroxypropoxy]quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 67204662
1-[4-[7-(3-aminopropoxy)-6-cyanoquinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 70953718
1-[4-[6-cyano-7-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]quinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 67202785
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
1-[4-[6-cyano-7-(2-hydroperoxyethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 89337862
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
1-[4-[6-cyano-7-[3-(methanesulfonamido)propoxy]quinolin-4-yl]oxy-2-fluorophenyl]-3-(4-fluorophenyl)urea
CID 22936572
1-N-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329948

Frequently Asked Questions

What is the IUPAC name of sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate?
The IUPAC name of sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate (CID 23711331) is sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate.
What is the SMILES notation for sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate?
The canonical SMILES for sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate is N#Cc1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ccnc2cc1[O-].[Na+].
What is the InChIKey of sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate?
The InChIKey is DQWNRXQBGVKJDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H15FN4O3.Na/c24-15-1-3-16(4-2-15)27-23(30)28-17-5-7-18(8-6-17)31-22-9-10-26-20-12-21(29)14(13-25)11-19(20)22;/h1-12,29H,(H2,27,28,30);/q;+1/p-1.
What are the key properties of sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate?
sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate has a molecular weight of 436.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-cyano-4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]quinolin-7-olate is sourced from PubChem (CID 23711331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).