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

C21H21FN2O4 — CID 155184797

IUPACN-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
SMILESCCCCOc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1OC
InChIInChI=1S/C21H21FN2O4/c1-3-4-9-27-21-12-17-15(11-20(21)26-2)18(7-8-23-17)28-19-6-5-14(24-13-25)10-16(19)22/h5-8,10-13H,3-4,9H2,1-2H3,(H,24,25)
InChIKeyDGONPPLTUQYQTO-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.92
Rot. Bonds9

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

N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide (PubChem CID 155184797) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide.

Molecular Properties

Compound NameN-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
PubChem CID155184797
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
SMILESCCCCOc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1OC
InChIInChI=1S/C21H21FN2O4/c1-3-4-9-27-21-12-17-15(11-20(21)26-2)18(7-8-23-17)28-19-6-5-14(24-13-25)10-16(19)22/h5-8,10-13H,3-4,9H2,1-2H3,(H,24,25)
InChIKeyDGONPPLTUQYQTO-UHFFFAOYSA-N
XLogP4.92
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 156569958
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
cis-(1R,2S)-2-N-[3-fluoro-4-[6-methoxy-7-(3-methoxypropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide
CID 178037413
4-[4-[4-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenoxy]-6-methoxyquinolin-7-yl]oxybutyl acetate
CID 67959157
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-5-methylhexanamide
CID 22935511
N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide
CID 130443570
sodium;4-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;hydride
CID 175043268
S-[2-[5-[4-[2-fluoro-4-(methylamino)phenoxy]-6-methoxyquinolin-7-yl]oxypentylamino]-2-oxoethyl] 2-aminoethanethioate
CID 155184804

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The IUPAC name of N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide (CID 155184797) is N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide.
What is the SMILES notation for N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The canonical SMILES for N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide is CCCCOc1cc2nccc(Oc3ccc(NC=O)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
The InChIKey is DGONPPLTUQYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-3-4-9-27-21-12-17-15(11-20(21)26-2)18(7-8-23-17)28-19-6-5-14(24-13-25)10-16(19)22/h5-8,10-13H,3-4,9H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide?
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide has a molecular weight of 384.41 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide is sourced from PubChem (CID 155184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).