1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea

C26H21F2N5O3 — CID 71533574

IUPAC1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H21F2N5O3/c27-17-2-1-3-18(13-17)30-26(35)31-19-5-6-21(28)20(14-19)25(34)16-4-7-22-23(12-16)32-24(15-29-22)33-8-10-36-11-9-33/h1-7,12-15H,8-11H2,(H2,30,31,35)
InChIKeyMCSBITWDDZLSKL-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.62
Rot. Bonds5

About 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea

1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 71533574) has the molecular formula C26H21F2N5O3 and a molecular weight of 489.48 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID71533574
Molecular FormulaC26H21F2N5O3
Molecular Weight489.48 g/mol
Exact Mass489.16
IUPAC Name1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C26H21F2N5O3/c27-17-2-1-3-18(13-17)30-26(35)31-19-5-6-21(28)20(14-19)25(34)16-4-7-22-23(12-16)32-24(15-29-22)33-8-10-36-11-9-33/h1-7,12-15H,8-11H2,(H2,30,31,35)
InChIKeyMCSBITWDDZLSKL-UHFFFAOYSA-N
XLogP4.62
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea 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-(6-methylpyridin-2-yl)quinoxaline-6-carboxamide
CID 829895
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029978
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029979
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
N-[2-(dimethylamino)ethyl]-8-[(3-fluoro-2-methylanilino)methyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030181
8-[(2R)-1-(3,5-difluorophenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030296
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 162710762
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137641431
3-[4-[3-(Morpholine-4-carbonyl)anilino]quinazolin-6-yl]-5-(trifluoromethyl)benzamide
CID 137644139
[8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 145960355
N-[(3-phenylphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 9969276
8-[(1S)-1-(3-fluoroanilino)ethyl]-N-(2-hydroxyethyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129029965

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea (CID 71533574) is 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is MCSBITWDDZLSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O3/c27-17-2-1-3-18(13-17)30-26(35)31-19-5-6-21(28)20(14-19)25(34)16-4-7-22-23(12-16)32-24(15-29-22)33-8-10-36-11-9-33/h1-7,12-15H,8-11H2,(H2,30,31,35).
What are the key properties of 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea?
1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 489.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 71533574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).