7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

C107H99F8N27O8 — CID 159497373

About 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide

7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (PubChem CID 159497373) has the molecular formula C107H99F8N27O8 and a molecular weight of 2043.13 g/mol. Its IUPAC name is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
• PubChem CID: 159497373
• Molecular Formula: C107H99F8N27O8
• Molecular Weight: 2043.13 g/mol
• Exact Mass: 2041.80
• IUPAC Name: 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide
• SMILES: COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4C(=O)NC(C)(C)C4=O)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4cnc(C5CC5)nc4)ccc23)cn1
• InChI: InChI=1S/C22H19FN6O.C22H20FN5O2.C22H20FN5O.C21H21F4N5O.C20H19FN6O3/c1-29-11-15(10-27-29)17-7-18(21(24)30)28-20-16(17)5-4-14(19(20)23)6-12-8-25-22(26-9-12)13-2-3-13;1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23;1-12-6-14(7-13(2)26-12)8-15-4-5-17-18(16-10-25-28(3)11-16)9-19(22(24)29)27-21(17)20(15)23;1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25;1-20(2)18(29)27(19(30)25-20)9-10-4-5-12-13(11-7-23-26(3)8-11)6-14(17(22)28)24-16(12)15(10)21/h4-5,7-11,13H,2-3,6H2,1H3,(H2,24,30);4-6,8-11H,7H2,1-3H3,(H2,24,29);4-7,9-11H,8H2,1-3H3,(H2,24,29);4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31);4-8H,9H2,1-3H3,(H2,22,28)(H,25,30)
• InChIKey: LYYKABMQRDSVIR-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 482.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.13
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?

The IUPAC name of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide (CID 159497373) is 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide.

What is the SMILES notation for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?

The canonical SMILES for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is COc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2F)cc(C)n1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4C(=O)NC(C)(C)C4=O)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(CN4CCCC(C(F)(F)F)C4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3c(F)c(Cc4cnc(C5CC5)nc4)ccc23)cn1.

What is the InChIKey of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?

The InChIKey is LYYKABMQRDSVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O.C22H20FN5O2.C22H20FN5O.C21H21F4N5O.C20H19FN6O3/c1-29-11-15(10-27-29)17-7-18(21(24)30)28-20-16(17)5-4-14(19(20)23)6-12-8-25-22(26-9-12)13-2-3-13;1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23;1-12-6-14(7-13(2)26-12)8-15-4-5-17-18(16-10-25-28(3)11-16)9-19(22(24)29)27-21(17)20(15)23;1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25;1-20(2)18(29)27(19(30)25-20)9-10-4-5-12-13(11-7-23-26(3)8-11)6-14(17(22)28)24-16(12)15(10)21/h4-5,7-11,13H,2-3,6H2,1H3,(H2,24,30);4-6,8-11H,7H2,1-3H3,(H2,24,29);4-7,9-11H,8H2,1-3H3,(H2,24,29);4-5,7-9,14H,2-3,6,10-11H2,1H3,(H2,26,31);4-8H,9H2,1-3H3,(H2,22,28)(H,25,30).

What are the key properties of 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide?

7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide has a molecular weight of 2043.13 g/mol, XLogP of 15.13, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 159497373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).