N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C20H21FN2O2 — CID 18142451

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H21FN2O2/c1-23(13-14-5-4-7-17(21)11-14)19(24)10-9-16-12-15-6-2-3-8-18(15)22-20(16)25/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyCWMDTTNZLNSYQX-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.38
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 18142451) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID18142451
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H21FN2O2/c1-23(13-14-5-4-7-17(21)11-14)19(24)10-9-16-12-15-6-2-3-8-18(15)22-20(16)25/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyCWMDTTNZLNSYQX-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 18142451) is N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CN(Cc1cccc(F)c1)C(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is CWMDTTNZLNSYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-23(13-14-5-4-7-17(21)11-14)19(24)10-9-16-12-15-6-2-3-8-18(15)22-20(16)25/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 18142451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).