N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide

C19H16ClFN2O2 — CID 143203388

IUPACN-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(=O)n2cc(Cc3cccc(Cl)c3F)ccc12
InChIInChI=1S/C19H16ClFN2O2/c1-12(24)22-10-15-6-8-18(25)23-11-13(5-7-17(15)23)9-14-3-2-4-16(20)19(14)21/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyGNICAQVBZMRDGE-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.32
Rot. Bonds4

About N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide

N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide (PubChem CID 143203388) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide
PubChem CID143203388
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC NameN-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(=O)n2cc(Cc3cccc(Cl)c3F)ccc12
InChIInChI=1S/C19H16ClFN2O2/c1-12(24)22-10-15-6-8-18(25)23-11-13(5-7-17(15)23)9-14-3-2-4-16(20)19(14)21/h2-8,11H,9-10H2,1H3,(H,22,24)
InChIKeyGNICAQVBZMRDGE-UHFFFAOYSA-N
XLogP3.32
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[(propanoylamino)methyl]quinolizine-3-carboxylic acid
CID 11697366
7-[(3-chloro-2-fluorophenyl)methyl]-1-(methoxymethyl)-4-oxoquinolizine-3-carboxylic acid;methyl 7-[(3-chloro-2-fluorophenyl)methyl]-1-(methoxymethyl)-4-oxoquinolizine-3-carboxylate
CID 159792926
7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinolizine-3-carboxylic acid
CID 11574635
7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-(sulfamoylmethyl)quinolizine-3-carboxylic acid
CID 58626768
7-[(3-chloro-2-fluorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392912
1-(1-amino-2-oxo-2-phenylethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
CID 87546116
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxylic acid
CID 5277064
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
tert-butyl 7-[2-(3-chloro-2-fluorophenyl)ethyl]-3-methyl-4-oxoquinolizine-1-carboxylate
CID 143203412
N-[(3-chloro-2-fluorophenyl)methyl]pentanamide
CID 156569845
N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide?
The IUPAC name of N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide (CID 143203388) is N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide?
The canonical SMILES for N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide is CC(=O)NCc1ccc(=O)n2cc(Cc3cccc(Cl)c3F)ccc12.
What is the InChIKey of N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide?
The InChIKey is GNICAQVBZMRDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-12(24)22-10-15-6-8-18(25)23-11-13(5-7-17(15)23)9-14-3-2-4-16(20)19(14)21/h2-8,11H,9-10H2,1H3,(H,22,24).
What are the key properties of N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide?
N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide has a molecular weight of 358.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizin-1-yl]methyl]acetamide is sourced from PubChem (CID 143203388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).