methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate

C25H20FN3O4 — CID 166187473

IUPACmethyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Oc1ccc(F)cc1
InChIInChI=1S/C25H20FN3O4/c1-32-25(31)23(33-17-11-9-16(26)10-12-17)15-28-24(30)19-14-22(21-8-4-5-13-27-21)29-20-7-3-2-6-18(19)20/h2-14,23H,15H2,1H3,(H,28,30)
InChIKeyBSMGWAZSZQWBGB-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.79
Rot. Bonds7

About methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate

methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate (PubChem CID 166187473) has the molecular formula C25H20FN3O4 and a molecular weight of 445.45 g/mol. Its IUPAC name is methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
PubChem CID166187473
Molecular FormulaC25H20FN3O4
Molecular Weight445.45 g/mol
Exact Mass445.14
IUPAC Namemethyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Oc1ccc(F)cc1
InChIInChI=1S/C25H20FN3O4/c1-32-25(31)23(33-17-11-9-16(26)10-12-17)15-28-24(30)19-14-22(21-8-4-5-13-27-21)29-20-7-3-2-6-18(19)20/h2-14,23H,15H2,1H3,(H,28,30)
InChIKeyBSMGWAZSZQWBGB-UHFFFAOYSA-N
XLogP3.79
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate 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-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39349561
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209
7-fluoro-2-pyridin-2-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 39045993
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798345
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate (CID 166187473) is methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate is COC(=O)C(CNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Oc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is BSMGWAZSZQWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O4/c1-32-25(31)23(33-17-11-9-16(26)10-12-17)15-28-24(30)19-14-22(21-8-4-5-13-27-21)29-20-7-3-2-6-18(19)20/h2-14,23H,15H2,1H3,(H,28,30).
What are the key properties of methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate?
methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 445.45 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenoxy)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 166187473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).