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

C18H18FN3O3 — CID 170702582

IUPAC[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCc1ccc2c(c1Oc1cccc(F)c1)N(C)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C18H18FN3O3/c1-10-6-7-11-8-14(21-18(20)24)17(23)22(2)15(11)16(10)25-13-5-3-4-12(19)9-13/h3-7,9,14H,8H2,1-2H3,(H3,20,21,24)/t14-/m1/s1
InChIKeyAOFKPISUDXFLDU-CQSZACIVSA-N
MW343.36 g/mol
LogP2.48
Rot. Bonds3

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

[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (PubChem CID 170702582) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
PubChem CID170702582
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea
SMILESCc1ccc2c(c1Oc1cccc(F)c1)N(C)C(=O)[C@H](NC(N)=O)C2
InChIInChI=1S/C18H18FN3O3/c1-10-6-7-11-8-14(21-18(20)24)17(23)22(2)15(11)16(10)25-13-5-3-4-12(19)9-13/h3-7,9,14H,8H2,1-2H3,(H3,20,21,24)/t14-/m1/s1
InChIKeyAOFKPISUDXFLDU-CQSZACIVSA-N
XLogP2.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The IUPAC name of [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea (CID 170702582) is [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea.
What is the SMILES notation for [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The canonical SMILES for [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is Cc1ccc2c(c1Oc1cccc(F)c1)N(C)C(=O)[C@H](NC(N)=O)C2.
What is the InChIKey of [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
The InChIKey is AOFKPISUDXFLDU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-10-6-7-11-8-14(21-18(20)24)17(23)22(2)15(11)16(10)25-13-5-3-4-12(19)9-13/h3-7,9,14H,8H2,1-2H3,(H3,20,21,24)/t14-/m1/s1.
What are the key properties of [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea?
[(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea has a molecular weight of 343.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-8-(3-fluorophenoxy)-1,7-dimethyl-2-oxo-3,4-dihydroquinolin-3-yl]urea is sourced from PubChem (CID 170702582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).