1-(4-fluorophenyl)-3-quinolin-2-ylurea

C16H12FN3O — CID 2812959

IUPAC1-(4-fluorophenyl)-3-quinolin-2-ylurea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H12FN3O/c17-12-6-8-13(9-7-12)18-16(21)20-15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H2,18,19,20,21)
InChIKeyHGQFMGGEWWKFKA-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.02
Rot. Bonds2

About 1-(4-fluorophenyl)-3-quinolin-2-ylurea

1-(4-fluorophenyl)-3-quinolin-2-ylurea (PubChem CID 2812959) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-quinolin-2-ylurea
PubChem CID2812959
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name1-(4-fluorophenyl)-3-quinolin-2-ylurea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H12FN3O/c17-12-6-8-13(9-7-12)18-16(21)20-15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H2,18,19,20,21)
InChIKeyHGQFMGGEWWKFKA-UHFFFAOYSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5011
CID 5011
CID 11379
CID 11379
CID 4331799
CID 4331799
CID 698960
CID 698960
CID 2960739
CID 2960739
CID 213847
CID 213847
CID 231935
CID 231935
CID 160547
CID 160547
CID 588801
CID 588801
CID 2824465
CID 2824465
CID 735124
CID 735124
CID 10640536
CID 10640536

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-quinolin-2-ylurea?
The IUPAC name of 1-(4-fluorophenyl)-3-quinolin-2-ylurea (CID 2812959) is 1-(4-fluorophenyl)-3-quinolin-2-ylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-quinolin-2-ylurea?
The canonical SMILES for 1-(4-fluorophenyl)-3-quinolin-2-ylurea is O=C(Nc1ccc(F)cc1)Nc1ccc2ccccc2n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-quinolin-2-ylurea?
The InChIKey is HGQFMGGEWWKFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-12-6-8-13(9-7-12)18-16(21)20-15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H2,18,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-quinolin-2-ylurea?
1-(4-fluorophenyl)-3-quinolin-2-ylurea has a molecular weight of 281.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-quinolin-2-ylurea is sourced from PubChem (CID 2812959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).