1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione

C26H24ClFN2O3 — CID 158149987

IUPAC1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C26H24ClFN2O3/c1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32/h5-6,9-13,21,23H,2-4,7-8,14H2,1H3/t21-,23+/m0/s1
InChIKeyUCQHLEPJMOMGRE-JTHBVZDNSA-N
MW466.94 g/mol
LogP5.78
Rot. Bonds5

About 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione

1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 158149987) has the molecular formula C26H24ClFN2O3 and a molecular weight of 466.94 g/mol. Its IUPAC name is 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
PubChem CID158149987
Molecular FormulaC26H24ClFN2O3
Molecular Weight466.94 g/mol
Exact Mass466.15
IUPAC Name1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
SMILESCc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F
InChIInChI=1S/C26H24ClFN2O3/c1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32/h5-6,9-13,21,23H,2-4,7-8,14H2,1H3/t21-,23+/m0/s1
InChIKeyUCQHLEPJMOMGRE-JTHBVZDNSA-N
XLogP5.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione (CID 158149987) is 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione is Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)ccc23)c1O[C@@H]1CCC[C@@H]1F.
What is the InChIKey of 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is UCQHLEPJMOMGRE-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H24ClFN2O3/c1-15-11-17(27)13-20(26(15)33-23-4-2-3-21(23)28)18-9-10-29-22-12-16(5-6-19(18)22)14-30-24(31)7-8-25(30)32/h5-6,9-13,21,23H,2-4,7-8,14H2,1H3/t21-,23+/m0/s1.
What are the key properties of 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?
1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 466.94 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158149987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).