N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide

C19H17FN2O2 — CID 172637357

IUPACN-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CC2=CC3C=CC=CC3=NC2=O)c(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12(23)21-11-13-6-7-14(17(20)8-13)9-16-10-15-4-2-3-5-18(15)22-19(16)24/h2-8,10,15H,9,11H2,1H3,(H,21,23)
InChIKeyZJBHNTJACZUJHE-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.65
Rot. Bonds4

About N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide

N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide (PubChem CID 172637357) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide
PubChem CID172637357
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC NameN-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CC2=CC3C=CC=CC3=NC2=O)c(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12(23)21-11-13-6-7-14(17(20)8-13)9-16-10-15-4-2-3-5-18(15)22-19(16)24/h2-8,10,15H,9,11H2,1H3,(H,21,23)
InChIKeyZJBHNTJACZUJHE-UHFFFAOYSA-N
XLogP2.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide (CID 172637357) is N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CC2=CC3C=CC=CC3=NC2=O)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is ZJBHNTJACZUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12(23)21-11-13-6-7-14(17(20)8-13)9-16-10-15-4-2-3-5-18(15)22-19(16)24/h2-8,10,15H,9,11H2,1H3,(H,21,23).
What are the key properties of N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide?
N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(2-oxo-4aH-quinolin-3-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 172637357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).