N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide

C27H22FN3O5 — CID 45274413

IUPACN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)C4OCCN(c5ccccc5)C4=O)cc3F)ccnc2c1
InChIInChI=1S/C27H22FN3O5/c1-34-19-8-9-20-22(16-19)29-12-11-23(20)36-24-10-7-17(15-21(24)28)30-26(32)25-27(33)31(13-14-35-25)18-5-3-2-4-6-18/h2-12,15-16,25H,13-14H2,1H3,(H,30,32)
InChIKeyAVOHPVUAPGVLAY-UHFFFAOYSA-N
MW487.49 g/mol
LogP4.55
Rot. Bonds6

About N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide

N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide (PubChem CID 45274413) has the molecular formula C27H22FN3O5 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
PubChem CID45274413
Molecular FormulaC27H22FN3O5
Molecular Weight487.49 g/mol
Exact Mass487.15
IUPAC NameN-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)C4OCCN(c5ccccc5)C4=O)cc3F)ccnc2c1
InChIInChI=1S/C27H22FN3O5/c1-34-19-8-9-20-22(16-19)29-12-11-23(20)36-24-10-7-17(15-21(24)28)30-26(32)25-27(33)31(13-14-35-25)18-5-3-2-4-6-18/h2-12,15-16,25H,13-14H2,1H3,(H,30,32)
InChIKeyAVOHPVUAPGVLAY-UHFFFAOYSA-N
XLogP4.55
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide 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

1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-(2-hydroxybutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268684
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
(2Z)-2-[5-(aminomethyl)-3-anilino-1,3-oxazolidin-2-ylidene]-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxopropanamide
CID 89003580
N-[3-fluoro-4-[7-(oxocan-2-ylmethoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 163637848
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-methylpropanoate
CID 59491042
N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44565221
1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-oxopyrrolidine-3-carboxamide
CID 24864513
[(2S)-1-[4-[[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 66669886
1-(3-chlorophenyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-2-(2-hydroxypropyl)-3-methyl-5-oxopyrazole-4-carboxamide
CID 66619500
(E)-3-[anilino-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]amino]-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-2-formylbut-2-enamide
CID 89003547
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
CID 45483392

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide (CID 45274413) is N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)C4OCCN(c5ccccc5)C4=O)cc3F)ccnc2c1.
What is the InChIKey of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide?
The InChIKey is AVOHPVUAPGVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O5/c1-34-19-8-9-20-22(16-19)29-12-11-23(20)36-24-10-7-17(15-21(24)28)30-26(32)25-27(33)31(13-14-35-25)18-5-3-2-4-6-18/h2-12,15-16,25H,13-14H2,1H3,(H,30,32).
What are the key properties of N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide?
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-3-oxo-4-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 45274413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).