7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide

C113H84F13N19O10 — CID 161247734

IUPAC7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(CO)nc3)c(F)c2n1
InChIInChI=1S/C24H19F5N4O2.C24H18F2N4O.2C22H16F2N4O2.C21H15F2N3O3/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26;25-17-6-3-14(4-7-17)19-10-20(23(27)31)30-22-18(19)8-5-16(21(22)26)9-13-11-28-24(29-12-13)15-1-2-15;1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24;23-15-4-1-13(2-5-15)17-8-18(22(25)30)28-21-16(17)6-3-14(20(21)24)7-12-9-26-19(11-29)27-10-12;22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34);3-8,10-12,15H,1-2,9H2,(H2,27,31);2-7,9-11H,8H2,1H3,(H2,25,29);1-6,8-10,29H,7,11H2,(H2,25,30);1-4,7-9H,5-6,10H2,(H2,24,29)
InChIKeyVAVXHDNCXDNOQH-UHFFFAOYSA-N
MW2115.01 g/mol
LogP18.97
Rot. Bonds25

About 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide

7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 161247734) has the molecular formula C113H84F13N19O10 and a molecular weight of 2115.01 g/mol. Its IUPAC name is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
PubChem CID161247734
Molecular FormulaC113H84F13N19O10
Molecular Weight2115.01 g/mol
Exact Mass2113.64
IUPAC Name7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(CO)nc3)c(F)c2n1
InChIInChI=1S/C24H19F5N4O2.C24H18F2N4O.2C22H16F2N4O2.C21H15F2N3O3/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26;25-17-6-3-14(4-7-17)19-10-20(23(27)31)30-22-18(19)8-5-16(21(22)26)9-13-11-28-24(29-12-13)15-1-2-15;1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24;23-15-4-1-13(2-5-15)17-8-18(22(25)30)28-21-16(17)6-3-14(20(21)24)7-12-9-26-19(11-29)27-10-12;22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34);3-8,10-12,15H,1-2,9H2,(H2,27,31);2-7,9-11H,8H2,1H3,(H2,25,29);1-6,8-10,29H,7,11H2,(H2,25,30);1-4,7-9H,5-6,10H2,(H2,24,29)
InChIKeyVAVXHDNCXDNOQH-UHFFFAOYSA-N
XLogP18.97
TPSA462.13 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.01
LogP ≤ 518.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide (CID 161247734) is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide is CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1)C(F)(F)F.COc1ncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2F)cn1.NC(=O)c1cc(-c2ccc(F)cc2)c2c(F)cc(CN3C(=O)CCC3=O)cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(C4CC4)nc3)c(F)c2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(CO)nc3)c(F)c2n1.
What is the InChIKey of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide?
The InChIKey is VAVXHDNCXDNOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N4O2.C24H18F2N4O.2C22H16F2N4O2.C21H15F2N3O3/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26;25-17-6-3-14(4-7-17)19-10-20(23(27)31)30-22-18(19)8-5-16(21(22)26)9-13-11-28-24(29-12-13)15-1-2-15;1-30-22-26-10-12(11-27-22)8-14-4-7-16-17(13-2-5-15(23)6-3-13)9-18(21(25)29)28-20(16)19(14)24;23-15-4-1-13(2-5-15)17-8-18(22(25)30)28-21-16(17)6-3-14(20(21)24)7-12-9-26-19(11-29)27-10-12;22-13-3-1-12(2-4-13)14-9-17(21(24)29)25-16-8-11(7-15(23)20(14)16)10-26-18(27)5-6-19(26)28/h3-9,11-12,35H,2,10H2,1H3,(H2,30,34);3-8,10-12,15H,1-2,9H2,(H2,27,31);2-7,9-11H,8H2,1H3,(H2,25,29);1-6,8-10,29H,7,11H2,(H2,25,30);1-4,7-9H,5-6,10H2,(H2,24,29).
What are the key properties of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide?
7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2115.01 g/mol, XLogP of 18.97, 25 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2,5-dioxopyrrolidin-1-yl)methyl]-5-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[2-(hydroxymethyl)pyrimidin-5-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[(2-methoxypyrimidin-5-yl)methyl]quinoline-2-carboxamide;8-fluoro-4-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 161247734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).