N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C22H20ClFN4O4 — CID 71766674

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1(O)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)c(F)c3)cc3cccnc32)C1
InChIInChI=1S/C22H20ClFN4O4/c1-22(32)11-27(12-22)18(29)10-28-19-14(3-2-6-25-19)8-15(21(28)31)20(30)26-9-13-4-5-16(23)17(24)7-13/h2-8,32H,9-12H2,1H3,(H,26,30)
InChIKeyQLGBMYGWHRBQSY-UHFFFAOYSA-N
MW458.88 g/mol
LogP1.71
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 71766674) has the molecular formula C22H20ClFN4O4 and a molecular weight of 458.88 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID71766674
Molecular FormulaC22H20ClFN4O4
Molecular Weight458.88 g/mol
Exact Mass458.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1(O)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)c(F)c3)cc3cccnc32)C1
InChIInChI=1S/C22H20ClFN4O4/c1-22(32)11-27(12-22)18(29)10-28-19-14(3-2-6-25-19)8-15(21(28)31)20(30)26-9-13-4-5-16(23)17(24)7-13/h2-8,32H,9-12H2,1H3,(H,26,30)
InChIKeyQLGBMYGWHRBQSY-UHFFFAOYSA-N
XLogP1.71
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.88
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide 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-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 71766674) is N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CC1(O)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)c(F)c3)cc3cccnc32)C1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QLGBMYGWHRBQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O4/c1-22(32)11-27(12-22)18(29)10-28-19-14(3-2-6-25-19)8-15(21(28)31)20(30)26-9-13-4-5-16(23)17(24)7-13/h2-8,32H,9-12H2,1H3,(H,26,30).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 458.88 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-1-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71766674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).