1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea

C18H18FN5O — CID 167971552

IUPAC1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(NC(C)c2cnc3ccccc3n2)ccc1F
InChIInChI=1S/C18H18FN5O/c1-11(17-10-21-14-5-3-4-6-15(14)23-17)22-12-7-8-13(19)16(9-12)24-18(25)20-2/h3-11,22H,1-2H3,(H2,20,24,25)
InChIKeyJQVMFLZTIIVDKW-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.69
Rot. Bonds4

About 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea

1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea (PubChem CID 167971552) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea
PubChem CID167971552
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1cc(NC(C)c2cnc3ccccc3n2)ccc1F
InChIInChI=1S/C18H18FN5O/c1-11(17-10-21-14-5-3-4-6-15(14)23-17)22-12-7-8-13(19)16(9-12)24-18(25)20-2/h3-11,22H,1-2H3,(H2,20,24,25)
InChIKeyJQVMFLZTIIVDKW-UHFFFAOYSA-N
XLogP3.69
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
N-[2-fluoro-5-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115925911
N-[2-fluoro-5-[1-(4-hydroxyphenyl)ethylamino]phenyl]acetamide
CID 60927140
1-[2-fluoro-5-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonylamino]phenyl]-3-methylurea
CID 166193493
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-[2-fluoro-5-[1-(5-fluoro-3-pyridinyl)ethylamino]phenyl]acetamide
CID 103935526
N-[2-fluoro-5-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 42891388
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
3-quinoxalin-2-ylbutan-2-one
CID 63196763
(2R)-N-(3,4-difluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086749
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357086

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea?
The IUPAC name of 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea (CID 167971552) is 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea.
What is the SMILES notation for 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea?
The canonical SMILES for 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea is CNC(=O)Nc1cc(NC(C)c2cnc3ccccc3n2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea?
The InChIKey is JQVMFLZTIIVDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-11(17-10-21-14-5-3-4-6-15(14)23-17)22-12-7-8-13(19)16(9-12)24-18(25)20-2/h3-11,22H,1-2H3,(H2,20,24,25).
What are the key properties of 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea?
1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea has a molecular weight of 339.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(1-quinoxalin-2-ylethylamino)phenyl]-3-methylurea is sourced from PubChem (CID 167971552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).