4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide

C109H115F8N9O10 — CID 159830544

IUPAC4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1F
InChIInChI=1S/C28H28F4N2O2.C28H31FN2O3.C27H28F2N2O2.C26H28FN3O3/c1-3-5-10-33-27(36)19-9-8-17(12-24(19)29)20-13-21-18(4-2)22(26(35)11-16-6-7-16)15-34-25(21)14-23(20)28(30,31)32;1-4-6-11-30-28(33)20-10-9-18(13-24(20)29)21-14-22-19(5-2)23(26(32)12-17-7-8-17)16-31-25(22)15-27(21)34-3;1-3-5-10-30-27(33)19-9-8-17(12-23(19)28)20-13-21-18(4-2)22(26(32)11-16-6-7-16)15-31-25(21)14-24(20)29;1-3-4-9-29-26(32)17-8-7-16(11-21(17)27)18-12-19-22(13-24(18)33-2)30-14-20(25(19)28)23(31)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,33,36);9-10,13-17H,4-8,11-12H2,1-3H3,(H,30,33);8-9,12-16H,3-7,10-11H2,1-2H3,(H,30,33);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyNNKFGVYRZGHYRI-UHFFFAOYSA-N
MW1863.16 g/mol
LogP24.66
Rot. Bonds37

About 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide

4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide (PubChem CID 159830544) has the molecular formula C109H115F8N9O10 and a molecular weight of 1863.16 g/mol. Its IUPAC name is 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide
PubChem CID159830544
Molecular FormulaC109H115F8N9O10
Molecular Weight1863.16 g/mol
Exact Mass1861.86
IUPAC Name4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1F
InChIInChI=1S/C28H28F4N2O2.C28H31FN2O3.C27H28F2N2O2.C26H28FN3O3/c1-3-5-10-33-27(36)19-9-8-17(12-24(19)29)20-13-21-18(4-2)22(26(35)11-16-6-7-16)15-34-25(21)14-23(20)28(30,31)32;1-4-6-11-30-28(33)20-10-9-18(13-24(20)29)21-14-22-19(5-2)23(26(32)12-17-7-8-17)16-31-25(22)15-27(21)34-3;1-3-5-10-30-27(33)19-9-8-17(12-23(19)28)20-13-21-18(4-2)22(26(32)11-16-6-7-16)15-31-25(21)14-24(20)29;1-3-4-9-29-26(32)17-8-7-16(11-21(17)27)18-12-19-22(13-24(18)33-2)30-14-20(25(19)28)23(31)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,33,36);9-10,13-17H,4-8,11-12H2,1-3H3,(H,30,33);8-9,12-16H,3-7,10-11H2,1-2H3,(H,30,33);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,28,30)(H,29,32)
InChIKeyNNKFGVYRZGHYRI-UHFFFAOYSA-N
XLogP24.66
TPSA280.72 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.16
LogP ≤ 524.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide with MolForge

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Related Compounds

4-(2,4-Difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24795066
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 10302939
7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)-amino]-quinoline-3-carboxylic acid 4-methoxy-benzylamide
CID 10302940
4-(2-Fluoro-4-methylanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984558
4-(2,4-Difluoroanilino)-7-methoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984560
4-(2-Fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984714
4-(2,4-Difluoroanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)quinoline-3-carboxamide
CID 24984715
4-(2,4-Difluorophenylamino)-7-ethoxy-6-(6-methoxypyridin-3-yl)quinoline-3-carboxamide
CID 68905538
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
4-(2,4-Difluoroanilino)-7-methoxy-6-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 69041955

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide?
The IUPAC name of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide (CID 159830544) is 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide?
The canonical SMILES for 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide is CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1F.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1F.
What is the InChIKey of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide?
The InChIKey is NNKFGVYRZGHYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N2O2.C28H31FN2O3.C27H28F2N2O2.C26H28FN3O3/c1-3-5-10-33-27(36)19-9-8-17(12-24(19)29)20-13-21-18(4-2)22(26(35)11-16-6-7-16)15-34-25(21)14-23(20)28(30,31)32;1-4-6-11-30-28(33)20-10-9-18(13-24(20)29)21-14-22-19(5-2)23(26(32)12-17-7-8-17)16-31-25(22)15-27(21)34-3;1-3-5-10-30-27(33)19-9-8-17(12-23(19)28)20-13-21-18(4-2)22(26(32)11-16-6-7-16)15-31-25(21)14-24(20)29;1-3-4-9-29-26(32)17-8-7-16(11-21(17)27)18-12-19-22(13-24(18)33-2)30-14-20(25(19)28)23(31)10-15-5-6-15/h8-9,12-16H,3-7,10-11H2,1-2H3,(H,33,36);9-10,13-17H,4-8,11-12H2,1-3H3,(H,30,33);8-9,12-16H,3-7,10-11H2,1-2H3,(H,30,33);7-8,11-15H,3-6,9-10H2,1-2H3,(H2,28,30)(H,29,32).
What are the key properties of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide?
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide has a molecular weight of 1863.16 g/mol, XLogP of 24.66, 37 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-fluorobenzamide is sourced from PubChem (CID 159830544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).