4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane

C172H227F2N27O8 — CID 158723011

About 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane

4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane (PubChem CID 158723011) has the molecular formula C172H227F2N27O8 and a molecular weight of 2838.88 g/mol. Its IUPAC name is 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane.

Molecular Properties

• Compound Name: 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane
• PubChem CID: 158723011
• Molecular Formula: C172H227F2N27O8
• Molecular Weight: 2838.88 g/mol
• Exact Mass: 2836.82
• IUPAC Name: 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane
• SMILES: C.C.C.C.C.C.C.C.CCCCNc1cc2c(NC3C4CC3C4)c(C(=O)NC3CC3)cnc2cc1F.CCCCNc1cc2c(NCc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCCNc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1C.CCCCNc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1F.CCCCNc1ccc2ncc(C(=O)CCC)c(Nc3ccccc3)c2c1.CCCCNc1ccc2ncc(C(=O)NC(C)(C)C)c(Nc3ccccc3)c2c1.CCCCNc1ccc2ncc(C(=O)NC(C)C)c(Nc3ccccc3)c2c1
• InChI: InChI=1S/C25H30N4O2.C24H28N4O.C24H30N4O.C23H25FN4O.C23H28N4O.C23H27N3O.C22H27FN4O.8CH4/c1-2-3-11-26-22-13-20-23(12-18(22)16-30)27-15-21(25(31)29-19-9-10-19)24(20)28-14-17-7-5-4-6-8-17;1-3-4-12-25-21-14-19-22(13-16(21)2)26-15-20(24(29)28-18-10-11-18)23(19)27-17-8-6-5-7-9-17;1-5-6-14-25-18-12-13-21-19(15-18)22(27-17-10-8-7-9-11-17)20(16-26-21)23(29)28-24(2,3)4;1-2-3-11-25-21-12-17-20(13-19(21)24)26-14-18(23(29)28-16-9-10-16)22(17)27-15-7-5-4-6-8-15;1-4-5-13-24-18-11-12-21-19(14-18)22(27-17-9-7-6-8-10-17)20(15-25-21)23(28)26-16(2)3;1-3-5-14-24-18-12-13-21-19(15-18)23(26-17-10-7-6-8-11-17)20(16-25-21)22(27)9-4-2;1-2-3-6-24-19-9-15-18(10-17(19)23)25-11-16(22(28)26-14-4-5-14)21(15)27-20-12-7-13(20)8-12;;;;;;;;/h4-8,12-13,15,19,26,30H,2-3,9-11,14,16H2,1H3,(H,27,28)(H,29,31);5-9,13-15,18,25H,3-4,10-12H2,1-2H3,(H,26,27)(H,28,29);7-13,15-16,25H,5-6,14H2,1-4H3,(H,26,27)(H,28,29);4-8,12-14,16,25H,2-3,9-11H2,1H3,(H,26,27)(H,28,29);6-12,14-16,24H,4-5,13H2,1-3H3,(H,25,27)(H,26,28);6-8,10-13,15-16,24H,3-5,9,14H2,1-2H3,(H,25,26);9-14,20,24H,2-8H2,1H3,(H,25,27)(H,26,28);8*1H4
• InChIKey: IKDPHMVFFKYIBO-UHFFFAOYSA-N
• XLogP: 41.66
• TPSA: 470.55 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 29
• Rotatable Bonds: 58
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2838.88
LogP ≤ 5	41.66
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane?

The IUPAC name of 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane (CID 158723011) is 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane.

What is the SMILES notation for 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane?

The canonical SMILES for 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane is C.C.C.C.C.C.C.C.CCCCNc1cc2c(NC3C4CC3C4)c(C(=O)NC3CC3)cnc2cc1F.CCCCNc1cc2c(NCc3ccccc3)c(C(=O)NC3CC3)cnc2cc1CO.CCCCNc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1C.CCCCNc1cc2c(Nc3ccccc3)c(C(=O)NC3CC3)cnc2cc1F.CCCCNc1ccc2ncc(C(=O)CCC)c(Nc3ccccc3)c2c1.CCCCNc1ccc2ncc(C(=O)NC(C)(C)C)c(Nc3ccccc3)c2c1.CCCCNc1ccc2ncc(C(=O)NC(C)C)c(Nc3ccccc3)c2c1.

What is the InChIKey of 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane?

The InChIKey is IKDPHMVFFKYIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C24H28N4O.C24H30N4O.C23H25FN4O.C23H28N4O.C23H27N3O.C22H27FN4O.8CH4/c1-2-3-11-26-22-13-20-23(12-18(22)16-30)27-15-21(25(31)29-19-9-10-19)24(20)28-14-17-7-5-4-6-8-17;1-3-4-12-25-21-14-19-22(13-16(21)2)26-15-20(24(29)28-18-10-11-18)23(19)27-17-8-6-5-7-9-17;1-5-6-14-25-18-12-13-21-19(15-18)22(27-17-10-8-7-9-11-17)20(16-26-21)23(29)28-24(2,3)4;1-2-3-11-25-21-12-17-20(13-19(21)24)26-14-18(23(29)28-16-9-10-16)22(17)27-15-7-5-4-6-8-15;1-4-5-13-24-18-11-12-21-19(14-18)22(27-17-9-7-6-8-10-17)20(15-25-21)23(28)26-16(2)3;1-3-5-14-24-18-12-13-21-19(15-18)23(26-17-10-7-6-8-11-17)20(16-25-21)22(27)9-4-2;1-2-3-6-24-19-9-15-18(10-17(19)23)25-11-16(22(28)26-14-4-5-14)21(15)27-20-12-7-13(20)8-12;;;;;;;;/h4-8,12-13,15,19,26,30H,2-3,9-11,14,16H2,1H3,(H,27,28)(H,29,31);5-9,13-15,18,25H,3-4,10-12H2,1-2H3,(H,26,27)(H,28,29);7-13,15-16,25H,5-6,14H2,1-4H3,(H,26,27)(H,28,29);4-8,12-14,16,25H,2-3,9-11H2,1H3,(H,26,27)(H,28,29);6-12,14-16,24H,4-5,13H2,1-3H3,(H,25,27)(H,26,28);6-8,10-13,15-16,24H,3-5,9,14H2,1-2H3,(H,25,26);9-14,20,24H,2-8H2,1H3,(H,25,27)(H,26,28);8*1H4.

What are the key properties of 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane?

4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane has a molecular weight of 2838.88 g/mol, XLogP of 41.66, 58 rotatable bonds, 21 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-cyclopropyl-7-methylquinoline-3-carboxamide;4-anilino-6-(butylamino)-N-propan-2-ylquinoline-3-carboxamide;1-[4-anilino-6-(butylamino)quinolin-3-yl]butan-1-one;4-anilino-N-tert-butyl-6-(butylamino)quinoline-3-carboxamide;4-(benzylamino)-6-(butylamino)-N-cyclopropyl-7-(hydroxymethyl)quinoline-3-carboxamide;4-(2-bicyclo[1.1.1]pentanylamino)-6-(butylamino)-N-cyclopropyl-7-fluoroquinoline-3-carboxamide;methane is sourced from PubChem (CID 158723011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).