2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H21FN2O3 — CID 1421798

IUPAC2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H21FN2O3/c1-16-6-5-7-17-14-18(24(29)27-23(16)17)15-28(19-10-12-20(31-2)13-11-19)25(30)21-8-3-4-9-22(21)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyDKHRSDZJRGEVIZ-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.83
Rot. Bonds5

About 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1421798) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1421798
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H21FN2O3/c1-16-6-5-7-17-14-18(24(29)27-23(16)17)15-28(19-10-12-20(31-2)13-11-19)25(30)21-8-3-4-9-22(21)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyDKHRSDZJRGEVIZ-UHFFFAOYSA-N
XLogP4.83
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1397221
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 3296261
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
3-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467501
2-bromo-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
CID 3447208
N-(4-ethoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 1395368
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylfuran-2-carboxamide
CID 1382192
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1386980

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1421798) is 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is DKHRSDZJRGEVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16-6-5-7-17-14-18(24(29)27-23(16)17)15-28(19-10-12-20(31-2)13-11-19)25(30)21-8-3-4-9-22(21)26/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1421798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).