2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide

C26H23FN2O5 — CID 4903955

IUPAC2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
SMILESCOc1cc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C26H23FN2O5/c1-29-19-12-8-6-10-17(19)23(30)22(15-13-20(32-2)24(34-4)21(14-15)33-3)25(29)28-26(31)16-9-5-7-11-18(16)27/h5-14H,1-4H3,(H,28,31)
InChIKeyVWGPHMJUGYBEIH-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.62
Rot. Bonds6

About 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide

2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide (PubChem CID 4903955) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
PubChem CID4903955
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Name2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide
SMILESCOc1cc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C26H23FN2O5/c1-29-19-12-8-6-10-17(19)23(30)22(15-13-20(32-2)24(34-4)21(14-15)33-3)25(29)28-26(31)16-9-5-7-11-18(16)27/h5-14H,1-4H3,(H,28,31)
InChIKeyVWGPHMJUGYBEIH-UHFFFAOYSA-N
XLogP4.62
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
4-fluoro-N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 16957143
2-chloro-N-[1-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]quinolin-2-yl]benzamide
CID 4910543
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]pentanamide
CID 4870056
(9-methylcarbazol-1-yl)-(2,3,4,5-tetramethoxyphenyl)methanone
CID 170563793
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide (CID 4903955) is 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide is COc1cc(-c2c(NC(=O)c3ccccc3F)n(C)c3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide?
The InChIKey is VWGPHMJUGYBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-29-19-12-8-6-10-17(19)23(30)22(15-13-20(32-2)24(34-4)21(14-15)33-3)25(29)28-26(31)16-9-5-7-11-18(16)27/h5-14H,1-4H3,(H,28,31).
What are the key properties of 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide?
2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide has a molecular weight of 462.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)quinolin-2-yl]benzamide is sourced from PubChem (CID 4903955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).