N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide

C17H13FN2O3 — CID 88583302

IUPACN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
SMILESCOc1ccc2c(Oc3ccc(NC=O)cc3F)ccnc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-12-3-4-13-15(9-12)19-7-6-16(13)23-17-5-2-11(20-10-21)8-14(17)18/h2-10H,1H3,(H,20,21)
InChIKeyRSJDDUJSOYLZDV-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.74
Rot. Bonds5

About N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide

N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide (PubChem CID 88583302) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
PubChem CID88583302
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
SMILESCOc1ccc2c(Oc3ccc(NC=O)cc3F)ccnc2c1
InChIInChI=1S/C17H13FN2O3/c1-22-12-3-4-13-15(9-12)19-7-6-16(13)23-17-5-2-11(20-10-21)8-14(17)18/h2-10H,1H3,(H,20,21)
InChIKeyRSJDDUJSOYLZDV-UHFFFAOYSA-N
XLogP3.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(6-cyano-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 156569958
N-[4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-3-fluorophenyl]formamide
CID 155184797
[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
CID 166561904
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
ethane;N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide;6-methyl-5-[(Z)-3-(propylideneamino)prop-2-enyl]-1,2-dihydropyrazolo[1,2-a]pyrazole-3,7-dione
CID 143321093
N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]formamide
CID 130443825
4,7-dimethoxyquinoline
CID 20743716
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
CID 45274413
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
(2Z)-2-[5-(aminomethyl)-3-anilino-1,3-oxazolidin-2-ylidene]-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxopropanamide
CID 89003580
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide?
The IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide (CID 88583302) is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide.
What is the SMILES notation for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide?
The canonical SMILES for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide is COc1ccc2c(Oc3ccc(NC=O)cc3F)ccnc2c1.
What is the InChIKey of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide?
The InChIKey is RSJDDUJSOYLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-22-12-3-4-13-15(9-12)19-7-6-16(13)23-17-5-2-11(20-10-21)8-14(17)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide?
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide has a molecular weight of 312.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide is sourced from PubChem (CID 88583302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).