N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide

C79H76N14O12 — CID 159970775

IUPACN-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1cc(C(=O)Cc2cc(C)c3nc(C)c(C(=O)NO)cc3c2)cc(-c2cnn(C)c2)c1.Cc1nc2ccc(-c3ccncc3)cc2cc1C(=O)NO.Cc1nc2ccc(CC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO.Cc1nc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2cc1C(=O)NO
InChIInChI=1S/C25H24N4O3.C19H16N4O4.C19H23N3O3.C16H13N3O2/c1-14-5-18(21-12-26-29(4)13-21)10-19(6-14)23(30)9-17-7-15(2)24-20(8-17)11-22(16(3)27-24)25(31)28-32;1-10-14(19(25)23-26)9-11-8-12(2-4-15(11)21-10)27-16-6-7-20-18-13(16)3-5-17(24)22-18;1-12-15(18(24)22-25)11-14-9-13(3-4-16(14)21-12)10-17(23)19(2)5-7-20-8-6-19;1-10-14(16(20)19-21)9-13-8-12(2-3-15(13)18-10)11-4-6-17-7-5-11/h5-8,10-13,32H,9H2,1-4H3,(H,28,31);2,4,6-9,26H,3,5H2,1H3,(H,23,25)(H,20,22,24);3-4,9,11,20,25H,5-8,10H2,1-2H3,(H,22,24);2-9,21H,1H3,(H,19,20)
InChIKeyOENCOGARYIDSIV-UHFFFAOYSA-N
MW1413.56 g/mol
LogP11.73
Rot. Bonds14

About N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide

N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 159970775) has the molecular formula C79H76N14O12 and a molecular weight of 1413.56 g/mol. Its IUPAC name is N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide
PubChem CID159970775
Molecular FormulaC79H76N14O12
Molecular Weight1413.56 g/mol
Exact Mass1412.58
IUPAC NameN-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1cc(C(=O)Cc2cc(C)c3nc(C)c(C(=O)NO)cc3c2)cc(-c2cnn(C)c2)c1.Cc1nc2ccc(-c3ccncc3)cc2cc1C(=O)NO.Cc1nc2ccc(CC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO.Cc1nc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2cc1C(=O)NO
InChIInChI=1S/C25H24N4O3.C19H16N4O4.C19H23N3O3.C16H13N3O2/c1-14-5-18(21-12-26-29(4)13-21)10-19(6-14)23(30)9-17-7-15(2)24-20(8-17)11-22(16(3)27-24)25(31)28-32;1-10-14(19(25)23-26)9-11-8-12(2-4-15(11)21-10)27-16-6-7-20-18-13(16)3-5-17(24)22-18;1-12-15(18(24)22-25)11-14-9-13(3-4-16(14)21-12)10-17(23)19(2)5-7-20-8-6-19;1-10-14(16(20)19-21)9-13-8-12(2-3-15(13)18-10)11-4-6-17-7-5-11/h5-8,10-13,32H,9H2,1-4H3,(H,28,31);2,4,6-9,26H,3,5H2,1H3,(H,23,25)(H,20,22,24);3-4,9,11,20,25H,5-8,10H2,1-2H3,(H,22,24);2-9,21H,1H3,(H,19,20)
InChIKeyOENCOGARYIDSIV-UHFFFAOYSA-N
XLogP11.73
TPSA376.98 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001413.56
LogP ≤ 511.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide (CID 159970775) is N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide is Cc1cc(C(=O)Cc2cc(C)c3nc(C)c(C(=O)NO)cc3c2)cc(-c2cnn(C)c2)c1.Cc1nc2ccc(-c3ccncc3)cc2cc1C(=O)NO.Cc1nc2ccc(CC(=O)C3(C)CCNCC3)cc2cc1C(=O)NO.Cc1nc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2cc1C(=O)NO.
What is the InChIKey of N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is OENCOGARYIDSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3.C19H16N4O4.C19H23N3O3.C16H13N3O2/c1-14-5-18(21-12-26-29(4)13-21)10-19(6-14)23(30)9-17-7-15(2)24-20(8-17)11-22(16(3)27-24)25(31)28-32;1-10-14(19(25)23-26)9-11-8-12(2-4-15(11)21-10)27-16-6-7-20-18-13(16)3-5-17(24)22-18;1-12-15(18(24)22-25)11-14-9-13(3-4-16(14)21-12)10-17(23)19(2)5-7-20-8-6-19;1-10-14(16(20)19-21)9-13-8-12(2-3-15(13)18-10)11-4-6-17-7-5-11/h5-8,10-13,32H,9H2,1-4H3,(H,28,31);2,4,6-9,26H,3,5H2,1H3,(H,23,25)(H,20,22,24);3-4,9,11,20,25H,5-8,10H2,1-2H3,(H,22,24);2-9,21H,1H3,(H,19,20).
What are the key properties of N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide?
N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 1413.56 g/mol, XLogP of 11.73, 14 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,8-dimethyl-6-[2-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[2-(4-methylpiperidin-4-yl)-2-oxoethyl]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]quinoline-3-carboxamide;N-hydroxy-2-methyl-6-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 159970775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).