2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C25H21FN2O3 — CID 1397221

IUPAC2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H21FN2O3/c1-16-7-12-23-17(13-16)14-18(24(29)27-23)15-28(19-8-10-20(31-2)11-9-19)25(30)21-5-3-4-6-22(21)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyPXTAAEDWKSIPGE-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.83
Rot. Bonds5

About 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1397221) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1397221
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C25H21FN2O3/c1-16-7-12-23-17(13-16)14-18(24(29)27-23)15-28(19-8-10-20(31-2)11-9-19)25(30)21-5-3-4-6-22(21)26/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyPXTAAEDWKSIPGE-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

N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542
4-chloro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1384915
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1312211
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3618385
2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)benzamide
CID 1389699
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1391706
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 1391983
2-methoxy-N-(3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3721115
N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 662188
N-(3-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1397221) is 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is PXTAAEDWKSIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-16-7-12-23-17(13-16)14-18(24(29)27-23)15-28(19-8-10-20(31-2)11-9-19)25(30)21-5-3-4-6-22(21)26/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-fluoro-N-(4-methoxyphenyl)-N-[(6-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-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1397221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).