1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea

C20H18BrFN4O2 — CID 53043861

IUPAC1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C20H18BrFN4O2/c21-14-2-1-3-15(11-14)23-20(27)24-16-10-13-4-5-18(25-19(13)17(22)12-16)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H2,23,24,27)
InChIKeyAZMLQSNLNDXBBU-UHFFFAOYSA-N
MW445.29 g/mol
LogP4.62
Rot. Bonds3

About 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea

1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea (PubChem CID 53043861) has the molecular formula C20H18BrFN4O2 and a molecular weight of 445.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
PubChem CID53043861
Molecular FormulaC20H18BrFN4O2
Molecular Weight445.29 g/mol
Exact Mass444.06
IUPAC Name1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C20H18BrFN4O2/c21-14-2-1-3-15(11-14)23-20(27)24-16-10-13-4-5-18(25-19(13)17(22)12-16)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H2,23,24,27)
InChIKeyAZMLQSNLNDXBBU-UHFFFAOYSA-N
XLogP4.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea (CID 53043861) is 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea is O=C(Nc1cccc(Br)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
The InChIKey is AZMLQSNLNDXBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O2/c21-14-2-1-3-15(11-14)23-20(27)24-16-10-13-4-5-18(25-19(13)17(22)12-16)26-6-8-28-9-7-26/h1-5,10-12H,6-9H2,(H2,23,24,27).
What are the key properties of 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea?
1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea has a molecular weight of 445.29 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea is sourced from PubChem (CID 53043861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).