3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide

C19H17FN2O — CID 110733799

IUPAC3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1cnc2ccccc2c1
InChIInChI=1S/C19H17FN2O/c20-17-8-5-14(6-9-17)7-10-19(23)22-13-15-11-16-3-1-2-4-18(16)21-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,22,23)
InChIKeyAPKDKCOHBLHLLG-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.62
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide

3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide (PubChem CID 110733799) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
PubChem CID110733799
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1cnc2ccccc2c1
InChIInChI=1S/C19H17FN2O/c20-17-8-5-14(6-9-17)7-10-19(23)22-13-15-11-16-3-1-2-4-18(16)21-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,22,23)
InChIKeyAPKDKCOHBLHLLG-UHFFFAOYSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
3-phenyl-N'-quinolin-3-ylpropanehydrazide
CID 71618065
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 110734347

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide (CID 110733799) is 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide is O=C(CCc1ccc(F)cc1)NCc1cnc2ccccc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide?
The InChIKey is APKDKCOHBLHLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-8-5-14(6-9-17)7-10-19(23)22-13-15-11-16-3-1-2-4-18(16)21-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide?
3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide has a molecular weight of 308.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(quinolin-3-ylmethyl)propanamide is sourced from PubChem (CID 110733799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).