2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C95H86N14O16S — CID 159501401

IUPAC2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESC=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.CC(=O)Nc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.COc1cc(-c2cc(OCN3C(=O)NC(=O)C3(C)C)c3cccnc3c2)cc(OC)c1OC.COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC
InChIInChI=1S/C24H25N3O6.C24H21N3O4.C24H21N3O3S.C23H19N5O3/c1-24(2)22(28)26-23(29)27(24)13-33-18-10-14(9-17-16(18)7-6-8-25-17)15-11-19(30-3)21(32-5)20(12-15)31-4;1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20;1-31(2,29)18-9-7-16(8-10-18)17-13-21-19(5-3-11-26-21)23(14-17)30-15-22-20(24(25)28)6-4-12-27-22;1-14(29)28-22-7-6-15(12-27-22)16-10-19-17(4-2-8-25-19)21(11-16)31-13-20-18(23(24)30)5-3-9-26-20/h6-12H,13H2,1-5H3,(H,26,28,29);3-13H,14H2,1-2H3,(H2,25,28);3-14H,1,15H2,2H3,(H2,25,28);2-12H,13H2,1H3,(H2,24,30)(H,27,28,29)
InChIKeyLZKSTQRCECCRJH-UHFFFAOYSA-N
MW1711.88 g/mol
LogP14.59
Rot. Bonds26

About 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 159501401) has the molecular formula C95H86N14O16S and a molecular weight of 1711.88 g/mol. Its IUPAC name is 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID159501401
Molecular FormulaC95H86N14O16S
Molecular Weight1711.88 g/mol
Exact Mass1710.61
IUPAC Name2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESC=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.CC(=O)Nc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.COc1cc(-c2cc(OCN3C(=O)NC(=O)C3(C)C)c3cccnc3c2)cc(OC)c1OC.COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC
InChIInChI=1S/C24H25N3O6.C24H21N3O4.C24H21N3O3S.C23H19N5O3/c1-24(2)22(28)26-23(29)27(24)13-33-18-10-14(9-17-16(18)7-6-8-25-17)15-11-19(30-3)21(32-5)20(12-15)31-4;1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20;1-31(2,29)18-9-7-16(8-10-18)17-13-21-19(5-3-11-26-21)23(14-17)30-15-22-20(24(25)28)6-4-12-27-22;1-14(29)28-22-7-6-15(12-27-22)16-10-19-17(4-2-8-25-19)21(11-16)31-13-20-18(23(24)30)5-3-9-26-20/h6-12H,13H2,1-5H3,(H,26,28,29);3-13H,14H2,1-2H3,(H2,25,28);3-14H,1,15H2,2H3,(H2,25,28);2-12H,13H2,1H3,(H2,24,30)(H,27,28,29)
InChIKeyLZKSTQRCECCRJH-UHFFFAOYSA-N
XLogP14.59
TPSA411.04 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.88
LogP ≤ 514.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 159501401) is 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is C=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.CC(=O)Nc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.COc1cc(-c2cc(OCN3C(=O)NC(=O)C3(C)C)c3cccnc3c2)cc(OC)c1OC.COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC.
What is the InChIKey of 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is LZKSTQRCECCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6.C24H21N3O4.C24H21N3O3S.C23H19N5O3/c1-24(2)22(28)26-23(29)27(24)13-33-18-10-14(9-17-16(18)7-6-8-25-17)15-11-19(30-3)21(32-5)20(12-15)31-4;1-29-21-8-7-15(12-23(21)30-2)16-11-19-17(5-3-9-26-19)22(13-16)31-14-20-18(24(25)28)6-4-10-27-20;1-31(2,29)18-9-7-16(8-10-18)17-13-21-19(5-3-11-26-21)23(14-17)30-15-22-20(24(25)28)6-4-12-27-22;1-14(29)28-22-7-6-15(12-27-22)16-10-19-17(4-2-8-25-19)21(11-16)31-13-20-18(23(24)30)5-3-9-26-20/h6-12H,13H2,1-5H3,(H,26,28,29);3-13H,14H2,1-2H3,(H2,25,28);3-14H,1,15H2,2H3,(H2,25,28);2-12H,13H2,1H3,(H2,24,30)(H,27,28,29).
What are the key properties of 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 1711.88 g/mol, XLogP of 14.59, 26 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 159501401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).