1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea

C24H26FN3O3 — CID 1430901

IUPAC1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1
InChIInChI=1S/C24H26FN3O3/c1-2-31-21-11-12-22-16(14-21)13-17(23(29)27-22)15-28(20-5-3-4-6-20)24(30)26-19-9-7-18(25)8-10-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyBSOULWUPTNYSKR-UHFFFAOYSA-N
MW423.49 g/mol
LogP5.04
Rot. Bonds6

About 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea

1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea (PubChem CID 1430901) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
PubChem CID1430901
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
SMILESCCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1
InChIInChI=1S/C24H26FN3O3/c1-2-31-21-11-12-22-16(14-21)13-17(23(29)27-22)15-28(20-5-3-4-6-20)24(30)26-19-9-7-18(25)8-10-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyBSOULWUPTNYSKR-UHFFFAOYSA-N
XLogP5.04
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194801
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430930
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 3194862
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172067
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea (CID 1430901) is 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea is CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1.
What is the InChIKey of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea?
The InChIKey is BSOULWUPTNYSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-31-21-11-12-22-16(14-21)13-17(23(29)27-22)15-28(20-5-3-4-6-20)24(30)26-19-9-7-18(25)8-10-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea?
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea has a molecular weight of 423.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 1430901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).