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

C21H21FN4O2 — CID 53110806

IUPAC1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-2-5-16(6-3-14)23-21(27)24-17-12-15-4-7-19(25-20(15)18(22)13-17)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H2,23,24,27)
InChIKeyYGUUJERWYGVFOR-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.16
Rot. Bonds3

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

1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea (PubChem CID 53110806) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea
PubChem CID53110806
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-2-5-16(6-3-14)23-21(27)24-17-12-15-4-7-19(25-20(15)18(22)13-17)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H2,23,24,27)
InChIKeyYGUUJERWYGVFOR-UHFFFAOYSA-N
XLogP4.16
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.16
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-(4-methylphenyl)urea?
The IUPAC name of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea (CID 53110806) is 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(F)c3nc(N4CCOCC4)ccc3c2)cc1.
What is the InChIKey of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea?
The InChIKey is YGUUJERWYGVFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-2-5-16(6-3-14)23-21(27)24-17-12-15-4-7-19(25-20(15)18(22)13-17)26-8-10-28-11-9-26/h2-7,12-13H,8-11H2,1H3,(H2,23,24,27).
What are the key properties of 1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea?
1-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)-3-(4-methylphenyl)urea has a molecular weight of 380.42 g/mol, XLogP of 4.16, 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-(4-methylphenyl)urea is sourced from PubChem (CID 53110806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).