4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide

C21H19FN2O2 — CID 51125642

IUPAC4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H19FN2O2/c22-17-6-3-5-16(13-17)21(8-10-26-11-9-21)20(25)24-18-12-15-4-1-2-7-19(15)23-14-18/h1-7,12-14H,8-11H2,(H,24,25)
InChIKeyRZWZGDJJLRMTAG-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.06
Rot. Bonds3

About 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide

4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide (PubChem CID 51125642) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
PubChem CID51125642
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C21H19FN2O2/c22-17-6-3-5-16(13-17)21(8-10-26-11-9-21)20(25)24-18-12-15-4-1-2-7-19(15)23-14-18/h1-7,12-14H,8-11H2,(H,24,25)
InChIKeyRZWZGDJJLRMTAG-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 60582417
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 120567027
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
4-(3-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)oxane-4-carboxamide
CID 51125644
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
N-(6-methoxy-5-methyl-3-pyridinyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100772258
1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 55369497
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide (CID 51125642) is 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide is O=C(Nc1cnc2ccccc2c1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide?
The InChIKey is RZWZGDJJLRMTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-6-3-5-16(13-17)21(8-10-26-11-9-21)20(25)24-18-12-15-4-1-2-7-19(15)23-14-18/h1-7,12-14H,8-11H2,(H,24,25).
What are the key properties of 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide?
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide is sourced from PubChem (CID 51125642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).