7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

C82H74F6N16O10 — CID 162185057

IUPAC7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
InChIInChI=1S/2C21H15F2N3O3.2C20H22FN5O2/c22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28;22-13-3-1-11(2-4-13)14-9-18(21(24)29)25-17-7-12(16(23)8-15(14)17)10-26-19(27)5-6-20(26)28;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21/h1-6,9H,7-8,10H2,(H2,24,29);1-4,7-9H,5-6,10H2,(H2,24,29);2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27)/t;;2*12-/m..10/s1
InChIKeyZPNYFGSXSIIIIN-UZVQQPSYSA-N
MW1557.58 g/mol
LogP10.04
Rot. Bonds16

About 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (PubChem CID 162185057) has the molecular formula C82H74F6N16O10 and a molecular weight of 1557.58 g/mol. Its IUPAC name is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
PubChem CID162185057
Molecular FormulaC82H74F6N16O10
Molecular Weight1557.58 g/mol
Exact Mass1556.57
IUPAC Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
InChIInChI=1S/2C21H15F2N3O3.2C20H22FN5O2/c22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28;22-13-3-1-11(2-4-13)14-9-18(21(24)29)25-17-7-12(16(23)8-15(14)17)10-26-19(27)5-6-20(26)28;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21/h1-6,9H,7-8,10H2,(H2,24,29);1-4,7-9H,5-6,10H2,(H2,24,29);2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27)/t;;2*12-/m..10/s1
InChIKeyZPNYFGSXSIIIIN-UZVQQPSYSA-N
XLogP10.04
TPSA359.26 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.58
LogP ≤ 510.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide (CID 162185057) is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is C[C@@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.C[C@H]1CN(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)CCO1.NC(=O)c1cc(-c2ccc(F)cc2)c2cc(F)c(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1.
What is the InChIKey of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
The InChIKey is ZPNYFGSXSIIIIN-UZVQQPSYSA-N. The full InChI is InChI=1S/2C21H15F2N3O3.2C20H22FN5O2/c22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28;22-13-3-1-11(2-4-13)14-9-18(21(24)29)25-17-7-12(16(23)8-15(14)17)10-26-19(27)5-6-20(26)28;2*1-12-9-26(5-6-28-12)11-13-3-4-15-16(14-8-23-25(2)10-14)7-17(20(22)27)24-19(15)18(13)21/h1-6,9H,7-8,10H2,(H2,24,29);1-4,7-9H,5-6,10H2,(H2,24,29);2*3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H2,22,27)/t;;2*12-/m..10/s1.
What are the key properties of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide?
7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide has a molecular weight of 1557.58 g/mol, XLogP of 10.04, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-7-[[(2S)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[[(2R)-2-methylmorpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 162185057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).