3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

C24H27FN4O3 — CID 648009

IUPAC3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C24H27FN4O3/c1-17-5-4-6-18-15-19(23(30)27-22(17)18)16-29(10-9-28-11-13-32-14-12-28)24(31)26-21-8-3-2-7-20(21)25/h2-8,15H,9-14,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyFOIUBNUCXUXUPK-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 648009) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID648009
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12
InChIInChI=1S/C24H27FN4O3/c1-17-5-4-6-18-15-19(23(30)27-22(17)18)16-29(10-9-28-11-13-32-14-12-28)24(31)26-21-8-3-2-7-20(21)25/h2-8,15H,9-14,16H2,1H3,(H,26,31)(H,27,30)
InChIKeyFOIUBNUCXUXUPK-UHFFFAOYSA-N
XLogP3.34
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 648009) is 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c12.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is FOIUBNUCXUXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-17-5-4-6-18-15-19(23(30)27-22(17)18)16-29(10-9-28-11-13-32-14-12-28)24(31)26-21-8-3-2-7-20(21)25/h2-8,15H,9-14,16H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?
3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 438.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 648009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).