methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate

C25H20FN3O4 — CID 43996083

IUPACmethyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H20FN3O4/c1-28(21-8-4-3-7-19(21)25(32)33-2)23(30)20-14-17-6-5-13-27-22(17)29(24(20)31)15-16-9-11-18(26)12-10-16/h3-14H,15H2,1-2H3
InChIKeyVVBHMKPPIPYJGL-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.65
Rot. Bonds5

About methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate

methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate (PubChem CID 43996083) has the molecular formula C25H20FN3O4 and a molecular weight of 445.45 g/mol. Its IUPAC name is methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate
PubChem CID43996083
Molecular FormulaC25H20FN3O4
Molecular Weight445.45 g/mol
Exact Mass445.14
IUPAC Namemethyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C25H20FN3O4/c1-28(21-8-4-3-7-19(21)25(32)33-2)23(30)20-14-17-6-5-13-27-22(17)29(24(20)31)15-16-9-11-18(26)12-10-16/h3-14H,15H2,1-2H3
InChIKeyVVBHMKPPIPYJGL-UHFFFAOYSA-N
XLogP3.65
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate 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

N-benzyl-N-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620626
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-(3,3-diphenylpropyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844208
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
1-[(4-fluorophenyl)methyl]-2-oxo-N-(3-propan-2-yloxypropyl)-1,8-naphthyridine-3-carboxamide
CID 7620684
methyl 1-[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]piperidine-4-carboxylate
CID 43996059
1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate?
The IUPAC name of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate (CID 43996083) is methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate?
The canonical SMILES for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate?
The InChIKey is VVBHMKPPIPYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4/c1-28(21-8-4-3-7-19(21)25(32)33-2)23(30)20-14-17-6-5-13-27-22(17)29(24(20)31)15-16-9-11-18(26)12-10-16/h3-14H,15H2,1-2H3.
What are the key properties of methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate?
methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate has a molecular weight of 445.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carbonyl]-methylamino]benzoate is sourced from PubChem (CID 43996083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).