4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one

C166H170FN19O8 — CID 158224317

IUPAC4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one
SMILESCCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)CC)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C30H34N4O2.C28H29N3O2.C28H29N3O.C27H26FN3O.C27H27N3O.C26H25N3O/c1-5-6-10-22-14-13-20(17-31-22)24-16-25-27(15-21(24)19-35)32-18-26(29(36)34-30(2,3)4)28(25)33-23-11-8-7-9-12-23;1-3-5-9-21-13-12-19(16-29-21)23-15-24-26(14-20(23)18-32)30-17-25(27(33)4-2)28(24)31-22-10-7-6-8-11-22;1-4-6-10-21-14-13-20(17-29-21)23-16-24-26(15-19(23)3)30-18-25(27(32)5-2)28(24)31-22-11-8-7-9-12-22;1-3-5-9-19-13-12-18(16-29-19)21-14-22-25(15-24(21)28)30-17-23(26(32)4-2)27(22)31-20-10-7-6-8-11-20;1-3-5-9-21-14-12-20(17-28-21)19-13-15-25-23(16-19)27(24(18-29-25)26(31)4-2)30-22-10-7-6-8-11-22;1-3-4-8-21-13-11-20(16-27-21)19-12-14-25-23(15-19)26(24(17-28-25)18(2)30)29-22-9-6-5-7-10-22/h7-9,11-18,35H,5-6,10,19H2,1-4H3,(H,32,33)(H,34,36);6-8,10-17,32H,3-5,9,18H2,1-2H3,(H,30,31);7-9,11-18H,4-6,10H2,1-3H3,(H,30,31);6-8,10-17H,3-5,9H2,1-2H3,(H,30,31);6-8,10-18H,3-5,9H2,1-2H3,(H,29,30);5-7,9-17H,3-4,8H2,1-2H3,(H,28,29)
InChIKeyGDPQWGJIWZSEKM-UHFFFAOYSA-N
MW2578.31 g/mol
LogP40.83
Rot. Bonds48

About 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one

4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one (PubChem CID 158224317) has the molecular formula C166H170FN19O8 and a molecular weight of 2578.31 g/mol. Its IUPAC name is 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one.

Molecular Properties

Compound Name4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one
PubChem CID158224317
Molecular FormulaC166H170FN19O8
Molecular Weight2578.31 g/mol
Exact Mass2576.35
IUPAC Name4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one
SMILESCCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)CC)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)cn1
InChIInChI=1S/C30H34N4O2.C28H29N3O2.C28H29N3O.C27H26FN3O.C27H27N3O.C26H25N3O/c1-5-6-10-22-14-13-20(17-31-22)24-16-25-27(15-21(24)19-35)32-18-26(29(36)34-30(2,3)4)28(25)33-23-11-8-7-9-12-23;1-3-5-9-21-13-12-19(16-29-21)23-15-24-26(14-20(23)18-32)30-17-25(27(33)4-2)28(24)31-22-10-7-6-8-11-22;1-4-6-10-21-14-13-20(17-29-21)23-16-24-26(15-19(23)3)30-18-25(27(32)5-2)28(24)31-22-11-8-7-9-12-22;1-3-5-9-19-13-12-18(16-29-19)21-14-22-25(15-24(21)28)30-17-23(26(32)4-2)27(22)31-20-10-7-6-8-11-20;1-3-5-9-21-14-12-20(17-28-21)19-13-15-25-23(16-19)27(24(18-29-25)26(31)4-2)30-22-10-7-6-8-11-22;1-3-4-8-21-13-11-20(16-27-21)19-12-14-25-23(15-19)26(24(17-28-25)18(2)30)29-22-9-6-5-7-10-22/h7-9,11-18,35H,5-6,10,19H2,1-4H3,(H,32,33)(H,34,36);6-8,10-17,32H,3-5,9,18H2,1-2H3,(H,30,31);7-9,11-18H,4-6,10H2,1-3H3,(H,30,31);6-8,10-17H,3-5,9H2,1-2H3,(H,30,31);6-8,10-18H,3-5,9H2,1-2H3,(H,29,30);5-7,9-17H,3-4,8H2,1-2H3,(H,28,29)
InChIKeyGDPQWGJIWZSEKM-UHFFFAOYSA-N
XLogP40.83
TPSA381.77 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds48
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.31
LogP ≤ 540.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one?
The IUPAC name of 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one (CID 158224317) is 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one.
What is the SMILES notation for 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one?
The canonical SMILES for 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one is CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)CC)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)cn1.
What is the InChIKey of 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one?
The InChIKey is GDPQWGJIWZSEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.C28H29N3O2.C28H29N3O.C27H26FN3O.C27H27N3O.C26H25N3O/c1-5-6-10-22-14-13-20(17-31-22)24-16-25-27(15-21(24)19-35)32-18-26(29(36)34-30(2,3)4)28(25)33-23-11-8-7-9-12-23;1-3-5-9-21-13-12-19(16-29-21)23-15-24-26(14-20(23)18-32)30-17-25(27(33)4-2)28(24)31-22-10-7-6-8-11-22;1-4-6-10-21-14-13-20(17-29-21)23-16-24-26(15-19(23)3)30-18-25(27(32)5-2)28(24)31-22-11-8-7-9-12-22;1-3-5-9-19-13-12-18(16-29-19)21-14-22-25(15-24(21)28)30-17-23(26(32)4-2)27(22)31-20-10-7-6-8-11-20;1-3-5-9-21-14-12-20(17-28-21)19-13-15-25-23(16-19)27(24(18-29-25)26(31)4-2)30-22-10-7-6-8-11-22;1-3-4-8-21-13-11-20(16-27-21)19-12-14-25-23(15-19)26(24(17-28-25)18(2)30)29-22-9-6-5-7-10-22/h7-9,11-18,35H,5-6,10,19H2,1-4H3,(H,32,33)(H,34,36);6-8,10-17,32H,3-5,9,18H2,1-2H3,(H,30,31);7-9,11-18H,4-6,10H2,1-3H3,(H,30,31);6-8,10-17H,3-5,9H2,1-2H3,(H,30,31);6-8,10-18H,3-5,9H2,1-2H3,(H,29,30);5-7,9-17H,3-4,8H2,1-2H3,(H,28,29).
What are the key properties of 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one?
4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one has a molecular weight of 2578.31 g/mol, XLogP of 40.83, 48 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one is sourced from PubChem (CID 158224317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).