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

C113H127F4N9O10 — CID 160920022

IUPAC4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1C
InChIInChI=1S/C29H31F3N2O2.C29H34N2O3.C28H31FN2O2.C27H31N3O3/c1-4-6-11-33-28(36)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(35)13-18-7-8-18)16-34-26(23)15-25(22)29(30,31)32;1-5-7-12-30-29(33)22-11-10-20(13-18(22)3)23-15-24-21(6-2)25(27(32)14-19-8-9-19)17-31-26(24)16-28(23)34-4;1-4-6-11-30-28(33)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(32)13-18-7-8-18)16-31-26(23)15-25(22)29;1-4-5-10-29-27(32)19-9-8-18(11-16(19)2)20-13-21-23(14-25(20)33-3)30-15-22(26(21)28)24(31)12-17-6-7-17/h9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,33,36);10-11,13,15-17,19H,5-9,12,14H2,1-4H3,(H,30,33);9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,30,33);8-9,11,13-15,17H,4-7,10,12H2,1-3H3,(H2,28,30)(H,29,32)
InChIKeySRXFXQQLPCVTKO-UHFFFAOYSA-N
MW1847.30 g/mol
LogP25.34
Rot. Bonds37

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

4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide (PubChem CID 160920022) has the molecular formula C113H127F4N9O10 and a molecular weight of 1847.30 g/mol. Its IUPAC name is 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide
PubChem CID160920022
Molecular FormulaC113H127F4N9O10
Molecular Weight1847.30 g/mol
Exact Mass1845.96
IUPAC Name4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide
SMILESCCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1C
InChIInChI=1S/C29H31F3N2O2.C29H34N2O3.C28H31FN2O2.C27H31N3O3/c1-4-6-11-33-28(36)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(35)13-18-7-8-18)16-34-26(23)15-25(22)29(30,31)32;1-5-7-12-30-29(33)22-11-10-20(13-18(22)3)23-15-24-21(6-2)25(27(32)14-19-8-9-19)17-31-26(24)16-28(23)34-4;1-4-6-11-30-28(33)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(32)13-18-7-8-18)16-31-26(23)15-25(22)29;1-4-5-10-29-27(32)19-9-8-18(11-16(19)2)20-13-21-23(14-25(20)33-3)30-15-22(26(21)28)24(31)12-17-6-7-17/h9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,33,36);10-11,13,15-17,19H,5-9,12,14H2,1-4H3,(H,30,33);9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,30,33);8-9,11,13-15,17H,4-7,10,12H2,1-3H3,(H2,28,30)(H,29,32)
InChIKeySRXFXQQLPCVTKO-UHFFFAOYSA-N
XLogP25.34
TPSA280.72 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.30
LogP ≤ 525.34
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-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide 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-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide?
The IUPAC name of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide (CID 160920022) is 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide.
What is the SMILES notation for 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide?
The canonical SMILES for 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide is CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.CCCCNC(=O)c1ccc(-c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)cc1C.
What is the InChIKey of 4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide?
The InChIKey is SRXFXQQLPCVTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N2O2.C29H34N2O3.C28H31FN2O2.C27H31N3O3/c1-4-6-11-33-28(36)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(35)13-18-7-8-18)16-34-26(23)15-25(22)29(30,31)32;1-5-7-12-30-29(33)22-11-10-20(13-18(22)3)23-15-24-21(6-2)25(27(32)14-19-8-9-19)17-31-26(24)16-28(23)34-4;1-4-6-11-30-28(33)21-10-9-19(12-17(21)3)22-14-23-20(5-2)24(27(32)13-18-7-8-18)16-31-26(23)15-25(22)29;1-4-5-10-29-27(32)19-9-8-18(11-16(19)2)20-13-21-23(14-25(20)33-3)30-15-22(26(21)28)24(31)12-17-6-7-17/h9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,33,36);10-11,13,15-17,19H,5-9,12,14H2,1-4H3,(H,30,33);9-10,12,14-16,18H,4-8,11,13H2,1-3H3,(H,30,33);8-9,11,13-15,17H,4-7,10,12H2,1-3H3,(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-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide?
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide has a molecular weight of 1847.30 g/mol, XLogP of 25.34, 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-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-2-methylbenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-2-methylbenzamide is sourced from PubChem (CID 160920022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).