N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C19H23FN4O3 — CID 56898752

IUPACN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H23FN4O3/c1-11(2)24-6-5-21-19(27)16(24)9-17(25)22-10-13-7-12-3-4-14(20)8-15(12)23-18(13)26/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyQUKZMCUPKSJRLU-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.88
Rot. Bonds5

About N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 56898752) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID56898752
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCC(C)N1CCNC(=O)C1CC(=O)NCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C19H23FN4O3/c1-11(2)24-6-5-21-19(27)16(24)9-17(25)22-10-13-7-12-3-4-14(20)8-15(12)23-18(13)26/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,21,27)(H,22,25)(H,23,26)
InChIKeyQUKZMCUPKSJRLU-UHFFFAOYSA-N
XLogP0.88
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 56898752) is N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is CC(C)N1CCNC(=O)C1CC(=O)NCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is QUKZMCUPKSJRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-11(2)24-6-5-21-19(27)16(24)9-17(25)22-10-13-7-12-3-4-14(20)8-15(12)23-18(13)26/h3-4,7-8,11,16H,5-6,9-10H2,1-2H3,(H,21,27)(H,22,25)(H,23,26).
What are the key properties of N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 374.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 56898752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).