[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

C17H15ClFN3O3 — CID 170702604

IUPAC[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)c(Oc3ccccc3F)c21
InChIInChI=1S/C17H15ClFN3O3/c1-22-14-9(8-12(16(22)23)21-17(20)24)6-7-10(18)15(14)25-13-5-3-2-4-11(13)19/h2-7,12H,8H2,1H3,(H3,20,21,24)/t12-/m1/s1
InChIKeyXHYJBXIQWPQKLD-GFCCVEGCSA-N
MW363.78 g/mol
LogP2.83
Rot. Bonds3

About [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea

[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702604) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702604
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC Name[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCN1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)c(Oc3ccccc3F)c21
InChIInChI=1S/C17H15ClFN3O3/c1-22-14-9(8-12(16(22)23)21-17(20)24)6-7-10(18)15(14)25-13-5-3-2-4-11(13)19/h2-7,12H,8H2,1H3,(H3,20,21,24)/t12-/m1/s1
InChIKeyXHYJBXIQWPQKLD-GFCCVEGCSA-N
XLogP2.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (CID 170702604) is [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is CN1C(=O)[C@H](NC(N)=O)Cc2ccc(Cl)c(Oc3ccccc3F)c21.
What is the InChIKey of [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is XHYJBXIQWPQKLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c1-22-14-9(8-12(16(22)23)21-17(20)24)6-7-10(18)15(14)25-13-5-3-2-4-11(13)19/h2-7,12H,8H2,1H3,(H3,20,21,24)/t12-/m1/s1.
What are the key properties of [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
[(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 363.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-7-chloro-8-(2-fluorophenoxy)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).