4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H21FN2O3 — CID 3912150

IUPAC4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H21FN2O3/c1-16-6-7-18-13-19(24(29)27-23(18)12-16)15-28(21-4-3-5-22(14-21)31-2)25(30)17-8-10-20(26)11-9-17/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyRRGJHXOQUPQZKM-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.83
Rot. Bonds5

About 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 3912150) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID3912150
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C25H21FN2O3/c1-16-6-7-18-13-19(24(29)27-23(18)12-16)15-28(21-4-3-5-22(14-21)31-2)25(30)17-8-10-20(26)11-9-17/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyRRGJHXOQUPQZKM-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 3912150) is 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is RRGJHXOQUPQZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16-6-7-18-13-19(24(29)27-23(18)12-16)15-28(21-4-3-5-22(14-21)31-2)25(30)17-8-10-20(26)11-9-17/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
4-fluoro-N-(3-methoxyphenyl)-N-[(7-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 4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 3912150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).