N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

C21H21FN2O4 — CID 110412926

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-27-18-7-3-13(9-19(18)28-2)12-23-20(25)8-5-15-10-14-4-6-16(22)11-17(14)24-21(15)26/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVZBFLLSZJVCAAN-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.93
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110412926) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110412926
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C21H21FN2O4/c1-27-18-7-3-13(9-19(18)28-2)12-23-20(25)8-5-15-10-14-4-6-16(22)11-17(14)24-21(15)26/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVZBFLLSZJVCAAN-UHFFFAOYSA-N
XLogP2.93
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389997
N-(4-acetamidophenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110423904
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110412926) is N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc(CNC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is VZBFLLSZJVCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-27-18-7-3-13(9-19(18)28-2)12-23-20(25)8-5-15-10-14-4-6-16(22)11-17(14)24-21(15)26/h3-4,6-7,9-11H,5,8,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 384.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110412926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).