1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide

C105H139F4N13O10 — CID 158463669

IUPAC1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)CC1.CCCCNC(=O)C1CCN(c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)CC1
InChIInChI=1S/C27H34F3N3O2.C27H37N3O3.C26H34FN3O2.C25H34N4O3/c1-3-5-10-31-26(35)18-8-11-33(12-9-18)24-14-20-19(4-2)21(25(34)13-17-6-7-17)16-32-23(20)15-22(24)27(28,29)30;1-4-6-11-28-27(32)19-9-12-30(13-10-19)24-15-21-20(5-2)22(25(31)14-18-7-8-18)17-29-23(21)16-26(24)33-3;1-3-5-10-28-26(32)18-8-11-30(12-9-18)24-14-20-19(4-2)21(25(31)13-17-6-7-17)16-29-23(20)15-22(24)27;1-3-4-9-27-25(31)17-7-10-29(11-8-17)21-13-18-20(14-23(21)32-2)28-15-19(24(18)26)22(30)12-16-5-6-16/h14-18H,3-13H2,1-2H3,(H,31,35);15-19H,4-14H2,1-3H3,(H,28,32);14-18H,3-13H2,1-2H3,(H,28,32);13-17H,3-12H2,1-2H3,(H2,26,28)(H,27,31)
InChIKeyHFMHUGZVHXRVRH-UHFFFAOYSA-N
MW1819.34 g/mol
LogP19.85
Rot. Bonds37

About 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide

1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide (PubChem CID 158463669) has the molecular formula C105H139F4N13O10 and a molecular weight of 1819.34 g/mol. Its IUPAC name is 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide
PubChem CID158463669
Molecular FormulaC105H139F4N13O10
Molecular Weight1819.34 g/mol
Exact Mass1818.07
IUPAC Name1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)CC1.CCCCNC(=O)C1CCN(c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)CC1
InChIInChI=1S/C27H34F3N3O2.C27H37N3O3.C26H34FN3O2.C25H34N4O3/c1-3-5-10-31-26(35)18-8-11-33(12-9-18)24-14-20-19(4-2)21(25(34)13-17-6-7-17)16-32-23(20)15-22(24)27(28,29)30;1-4-6-11-28-27(32)19-9-12-30(13-10-19)24-15-21-20(5-2)22(25(31)14-18-7-8-18)17-29-23(21)16-26(24)33-3;1-3-5-10-28-26(32)18-8-11-30(12-9-18)24-14-20-19(4-2)21(25(31)13-17-6-7-17)16-29-23(20)15-22(24)27;1-3-4-9-27-25(31)17-7-10-29(11-8-17)21-13-18-20(14-23(21)32-2)28-15-19(24(18)26)22(30)12-16-5-6-16/h14-18H,3-13H2,1-2H3,(H,31,35);15-19H,4-14H2,1-3H3,(H,28,32);14-18H,3-13H2,1-2H3,(H,28,32);13-17H,3-12H2,1-2H3,(H2,26,28)(H,27,31)
InChIKeyHFMHUGZVHXRVRH-UHFFFAOYSA-N
XLogP19.85
TPSA293.68 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001819.34
LogP ≤ 519.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-(2,4-Difluorophenylamino)-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571022
4-(2,4-Difluorophenylamino)-7-methoxy-6-(2-(piperidin-1-yl)ethylamino)quinoline-3-carboxamide
CID 44571222
4-(2,4-Difluorophenylamino)-7-methoxy-6-(2-morpholinoethylamino)quinoline-3-carboxamide
CID 44571223
4-(2,5-Difluoroanilino)-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 68434746
4-(2-Fluoroanilino)-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 68436699
4-[3-Carbamoyl-4-(2,4-difluoroanilino)-7-methoxyquinolin-6-yl]piperazine-1-carboxylic acid
CID 68436717
4-[4-Fluoro-2-(trifluoromethyl)anilino]-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 68437113
6-(4-Cyclopropylpiperazin-1-yl)-4-(2,4-difluoroanilino)-7-methoxyquinoline-3-carboxamide
CID 68437254
4-(2,4-Difluoroanilino)-7-methoxy-6-piperazin-1-ylquinoline-3-carboxamide
CID 68437391
7-Methoxy-6-(4-methylpiperazin-1-yl)-4-[2-methyl-3-(trifluoromethyl)anilino]quinoline-3-carboxamide
CID 68437476
7-Ethoxy-4-[2-fluoro-3-(trifluoromethyl)anilino]-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 68437705
4-(2,4-Difluoroanilino)-7-methoxy-6-morpholin-4-ylquinoline-3-carboxamide
CID 68437723

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide (CID 158463669) is 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2C(F)(F)F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2F)CC1.CCCCNC(=O)C1CCN(c2cc3c(CC)c(C(=O)CC4CC4)cnc3cc2OC)CC1.CCCCNC(=O)C1CCN(c2cc3c(N)c(C(=O)CC4CC4)cnc3cc2OC)CC1.
What is the InChIKey of 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide?
The InChIKey is HFMHUGZVHXRVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O2.C27H37N3O3.C26H34FN3O2.C25H34N4O3/c1-3-5-10-31-26(35)18-8-11-33(12-9-18)24-14-20-19(4-2)21(25(34)13-17-6-7-17)16-32-23(20)15-22(24)27(28,29)30;1-4-6-11-28-27(32)19-9-12-30(13-10-19)24-15-21-20(5-2)22(25(31)14-18-7-8-18)17-29-23(21)16-26(24)33-3;1-3-5-10-28-26(32)18-8-11-30(12-9-18)24-14-20-19(4-2)21(25(31)13-17-6-7-17)16-29-23(20)15-22(24)27;1-3-4-9-27-25(31)17-7-10-29(11-8-17)21-13-18-20(14-23(21)32-2)28-15-19(24(18)26)22(30)12-16-5-6-16/h14-18H,3-13H2,1-2H3,(H,31,35);15-19H,4-14H2,1-3H3,(H,28,32);14-18H,3-13H2,1-2H3,(H,28,32);13-17H,3-12H2,1-2H3,(H2,26,28)(H,27,31).
What are the key properties of 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide?
1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide has a molecular weight of 1819.34 g/mol, XLogP of 19.85, 37 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butylpiperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]piperidine-4-carboxamide;N-butyl-1-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 158463669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).