cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane

C109H127F4N9O14 — CID 159243768

IUPACcyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane
SMILESC.C.C.C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)OC4CC4)cnc3cc2OC)cc1
InChIInChI=1S/C27H27F3N2O3.C27H30N2O4.C26H27FN2O3.C25H27N3O4.4CH4/c1-3-5-12-31-25(33)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(34)35-18-10-11-18)15-32-24(21)14-23(20)27(28,29)30;1-4-6-13-28-26(30)18-9-7-17(8-10-18)21-14-22-20(5-2)23(27(31)33-19-11-12-19)16-29-24(22)15-25(21)32-3;1-3-5-12-28-25(30)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(31)32-18-10-11-18)15-29-24(21)14-23(20)27;1-3-4-11-27-24(29)16-7-5-15(6-8-16)18-12-19-21(13-22(18)31-2)28-14-20(23(19)26)25(30)32-17-9-10-17;;;;/h6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,31,33);7-10,14-16,19H,4-6,11-13H2,1-3H3,(H,28,30);6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,28,30);5-8,12-14,17H,3-4,9-11H2,1-2H3,(H2,26,28)(H,27,29);4*1H4
InChIKeyKUKPLPQFOXBHTH-UHFFFAOYSA-N
MW1863.26 g/mol
LogP23.99
Rot. Bonds33

About cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane

cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane (PubChem CID 159243768) has the molecular formula C109H127F4N9O14 and a molecular weight of 1863.26 g/mol. Its IUPAC name is cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane.

Molecular Properties

Compound Namecyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane
PubChem CID159243768
Molecular FormulaC109H127F4N9O14
Molecular Weight1863.26 g/mol
Exact Mass1861.94
IUPAC Namecyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane
SMILESC.C.C.C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)OC4CC4)cnc3cc2OC)cc1
InChIInChI=1S/C27H27F3N2O3.C27H30N2O4.C26H27FN2O3.C25H27N3O4.4CH4/c1-3-5-12-31-25(33)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(34)35-18-10-11-18)15-32-24(21)14-23(20)27(28,29)30;1-4-6-13-28-26(30)18-9-7-17(8-10-18)21-14-22-20(5-2)23(27(31)33-19-11-12-19)16-29-24(22)15-25(21)32-3;1-3-5-12-28-25(30)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(31)32-18-10-11-18)15-29-24(21)14-23(20)27;1-3-4-11-27-24(29)16-7-5-15(6-8-16)18-12-19-21(13-22(18)31-2)28-14-20(23(19)26)25(30)32-17-9-10-17;;;;/h6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,31,33);7-10,14-16,19H,4-6,11-13H2,1-3H3,(H,28,30);6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,28,30);5-8,12-14,17H,3-4,9-11H2,1-2H3,(H2,26,28)(H,27,29);4*1H4
InChIKeyKUKPLPQFOXBHTH-UHFFFAOYSA-N
XLogP23.99
TPSA317.64 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.26
LogP ≤ 523.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
US11116760, Example 233
CID 146614666
Zanzalintinib Fumarate
CID 169490726
Ethyl 4-[(2-fluoro-4-methylphenyl)amino]-7-methoxy-6-piperidin-4-ylquinoline-3-carboxylate
CID 68902387
Ethyl 4-(2,4-difluorophenylamino)-7-methoxy-6-(piperidin-4-yl)quinoline-3-carboxylate
CID 68904448
4-(2,4-Difluorophenylamino)-7-ethoxy-6-(6-methoxypyridin-3-yl)quinoline-3-carboxamide
CID 68905538
tert-Butyl 4-{3-(aminocarbonyl)-4-[(2,4-difluorophenyl)amino]-7-ethoxyquinolin-6-yl}-3,6-dihydropyridine-1(2H)-carboxylate
CID 68974202
4-[(2,4-Difluorophenyl)amino]-7-ethoxy-6-piperidin-4-ylquinoline-3-carboxamide
CID 68977861
Ethyl 6-(1-acetylpiperidin-4-yl)-4-[(2,4-difluorophenyl)amino]-7-methoxyquinoline-3-carboxylate
CID 69027674
Ethyl 4-(2,4-difluorophenylamino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxylate
CID 69040453
4-[3-carbamoyl-4-(2,4-difluoroanilino)-7-ethoxyquinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 69043658
4-[(2,4-Difluorophenyl)amino]-7-ethoxy-6-pyridin-3-ylquinoline-3-carboxamide
CID 69044084

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane?
The IUPAC name of cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane (CID 159243768) is cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane.
What is the SMILES notation for cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane?
The canonical SMILES for cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane is C.C.C.C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2C(F)(F)F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2F)cc1.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)OC4CC4)cnc3cc2OC)cc1.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)OC4CC4)cnc3cc2OC)cc1.
What is the InChIKey of cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane?
The InChIKey is KUKPLPQFOXBHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3.C27H30N2O4.C26H27FN2O3.C25H27N3O4.4CH4/c1-3-5-12-31-25(33)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(34)35-18-10-11-18)15-32-24(21)14-23(20)27(28,29)30;1-4-6-13-28-26(30)18-9-7-17(8-10-18)21-14-22-20(5-2)23(27(31)33-19-11-12-19)16-29-24(22)15-25(21)32-3;1-3-5-12-28-25(30)17-8-6-16(7-9-17)20-13-21-19(4-2)22(26(31)32-18-10-11-18)15-29-24(21)14-23(20)27;1-3-4-11-27-24(29)16-7-5-15(6-8-16)18-12-19-21(13-22(18)31-2)28-14-20(23(19)26)25(30)32-17-9-10-17;;;;/h6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,31,33);7-10,14-16,19H,4-6,11-13H2,1-3H3,(H,28,30);6-9,13-15,18H,3-5,10-12H2,1-2H3,(H,28,30);5-8,12-14,17H,3-4,9-11H2,1-2H3,(H2,26,28)(H,27,29);4*1H4.
What are the key properties of cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane?
cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane has a molecular weight of 1863.26 g/mol, XLogP of 23.99, 33 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 4-amino-6-[4-(butylcarbamoyl)phenyl]-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-fluoroquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-methoxyquinoline-3-carboxylate;cyclopropyl 6-[4-(butylcarbamoyl)phenyl]-4-ethyl-7-(trifluoromethyl)quinoline-3-carboxylate;methane is sourced from PubChem (CID 159243768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).