7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

C22H18FN3O3 — CID 71566672

IUPAC7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1
InChIInChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29)
InChIKeyROOSHFSVNCXONY-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.18
Rot. Bonds4

About 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide

7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide (PubChem CID 71566672) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
PubChem CID71566672
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1
InChIInChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29)
InChIKeyROOSHFSVNCXONY-UHFFFAOYSA-N
XLogP3.18
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide (CID 71566672) is 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCCC3=O)cc2n1.
What is the InChIKey of 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
The InChIKey is ROOSHFSVNCXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-15-7-5-14(6-8-15)17-11-19(22(24)29)25-18-10-13(4-9-16(17)18)12-26-20(27)2-1-3-21(26)28/h4-11H,1-3,12H2,(H2,24,29).
What are the key properties of 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide?
7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71566672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).