N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide

C18H12FN3O3 — CID 156569958

IUPACN-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1C#N
InChIInChI=1S/C18H12FN3O3/c1-24-18-8-15-13(6-11(18)9-20)16(4-5-21-15)25-17-3-2-12(22-10-23)7-14(17)19/h2-8,10H,1H3,(H,22,23)
InChIKeyVHLOCJDTQZKWBG-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide

N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide (PubChem CID 156569958) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
PubChem CID156569958
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC NameN-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
SMILESCOc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1C#N
InChIInChI=1S/C18H12FN3O3/c1-24-18-8-15-13(6-11(18)9-20)16(4-5-21-15)25-17-3-2-12(22-10-23)7-14(17)19/h2-8,10H,1H3,(H,22,23)
InChIKeyVHLOCJDTQZKWBG-UHFFFAOYSA-N
XLogP3.61
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(2,4-difluorophenyl)urea
CID 22936280
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]sulfinylmethanimine
CID 166561964
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 87308076
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603407
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-5-methylhexanamide
CID 22935511

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The IUPAC name of N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide (CID 156569958) is N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide.
What is the SMILES notation for N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The canonical SMILES for N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide is COc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1C#N.
What is the InChIKey of N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The InChIKey is VHLOCJDTQZKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c1-24-18-8-15-13(6-11(18)9-20)16(4-5-21-15)25-17-3-2-12(22-10-23)7-14(17)19/h2-8,10H,1H3,(H,22,23).
What are the key properties of N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide has a molecular weight of 337.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide is sourced from PubChem (CID 156569958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).