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

C20H19FN4O2 — CID 53110799

IUPAC1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C20H19FN4O2/c21-17-13-16(23-20(26)22-15-4-2-1-3-5-15)12-14-6-7-18(24-19(14)17)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H2,22,23,26)
InChIKeyHIRMKJAQQFCTMI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.85
Rot. Bonds3

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

1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea (PubChem CID 53110799) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea
PubChem CID53110799
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1
InChIInChI=1S/C20H19FN4O2/c21-17-13-16(23-20(26)22-15-4-2-1-3-5-15)12-14-6-7-18(24-19(14)17)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H2,22,23,26)
InChIKeyHIRMKJAQQFCTMI-UHFFFAOYSA-N
XLogP3.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea?
The IUPAC name of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea (CID 53110799) is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea?
The canonical SMILES for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1.
What is the InChIKey of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea?
The InChIKey is HIRMKJAQQFCTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-13-16(23-20(26)22-15-4-2-1-3-5-15)12-14-6-7-18(24-19(14)17)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H2,22,23,26).
What are the key properties of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea?
1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea has a molecular weight of 366.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-phenylurea is sourced from PubChem (CID 53110799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).