N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

C20H19FN2O3 — CID 110331295

IUPACN-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccccc3F)cc2c1
InChIInChI=1S/C20H19FN2O3/c1-26-16-7-8-18-15(11-16)10-13(20(25)23-18)6-9-19(24)22-12-14-4-2-3-5-17(14)21/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPEDVSMGHBFKCNJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.92
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331295) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331295
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccccc3F)cc2c1
InChIInChI=1S/C20H19FN2O3/c1-26-16-7-8-18-15(11-16)10-13(20(25)23-18)6-9-19(24)22-12-14-4-2-3-5-17(14)21/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyPEDVSMGHBFKCNJ-UHFFFAOYSA-N
XLogP2.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760
3-(6-fluoro-2-oxo-1H-quinolin-3-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110674043
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
2-(4-chlorophenoxy)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324899
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331295) is N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccccc3F)cc2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is PEDVSMGHBFKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-26-16-7-8-18-15(11-16)10-13(20(25)23-18)6-9-19(24)22-12-14-4-2-3-5-17(14)21/h2-5,7-8,10-11H,6,9,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 354.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).