3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide

C115H99N13O17 — CID 161085124

IUPAC3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide
SMILESCC(C)(C)C(=O)Cc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cn1.Cc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2ccn(CCc3cccc(-c4cccnc4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C29H29N3O4.C24H21N3O4.C24H20N2O3.C21H15N3O3.C17H14N2O3/c1-29(2,3)27(35)16-25-22(8-5-12-30-25)20-7-4-6-19(14-20)11-13-32-18-31-24-10-9-21(26(34)17-33)15-23(24)28(32)36;1-31-23-8-6-19(13-25-23)17-4-2-3-16(11-17)9-10-27-15-26-21-7-5-18(22(29)14-28)12-20(21)24(27)30;27-16-23(28)20-7-6-18-9-12-26(24(29)22(18)14-20)11-8-17-3-1-4-19(13-17)21-5-2-10-25-15-21;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14;1-10-2-4-11(5-3-10)16-18-14-8-12(15(21)9-20)6-7-13(14)17(22)19-16/h4-10,12,14-15,18,33H,11,13,16-17H2,1-3H3;2-8,11-13,15,28H,9-10,14H2,1H3;1-7,9-10,12-15,27H,8,11,16H2;1-13,27H,(H,23,25);2-8,20H,9H2,1H3,(H,18,19,22)
InChIKeyUGKFPUMFRRXZBH-UHFFFAOYSA-N
MW1935.13 g/mol
LogP15.65
Rot. Bonds27

About 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide

3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide (PubChem CID 161085124) has the molecular formula C115H99N13O17 and a molecular weight of 1935.13 g/mol. Its IUPAC name is 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide.

Molecular Properties

Compound Name3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide
PubChem CID161085124
Molecular FormulaC115H99N13O17
Molecular Weight1935.13 g/mol
Exact Mass1933.73
IUPAC Name3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide
SMILESCC(C)(C)C(=O)Cc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cn1.Cc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2ccn(CCc3cccc(-c4cccnc4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C29H29N3O4.C24H21N3O4.C24H20N2O3.C21H15N3O3.C17H14N2O3/c1-29(2,3)27(35)16-25-22(8-5-12-30-25)20-7-4-6-19(14-20)11-13-32-18-31-24-10-9-21(26(34)17-33)15-23(24)28(32)36;1-31-23-8-6-19(13-25-23)17-4-2-3-16(11-17)9-10-27-15-26-21-7-5-18(22(29)14-28)12-20(21)24(27)30;27-16-23(28)20-7-6-18-9-12-26(24(29)22(18)14-20)11-8-17-3-1-4-19(13-17)21-5-2-10-25-15-21;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14;1-10-2-4-11(5-3-10)16-18-14-8-12(15(21)9-20)6-7-13(14)17(22)19-16/h4-10,12,14-15,18,33H,11,13,16-17H2,1-3H3;2-8,11-13,15,28H,9-10,14H2,1H3;1-7,9-10,12-15,27H,8,11,16H2;1-13,27H,(H,23,25);2-8,20H,9H2,1H3,(H,18,19,22)
InChIKeyUGKFPUMFRRXZBH-UHFFFAOYSA-N
XLogP15.65
TPSA435.92 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.13
LogP ≤ 515.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?
The IUPAC name of 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide (CID 161085124) is 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide.
What is the SMILES notation for 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?
The canonical SMILES for 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide is CC(C)(C)C(=O)Cc1ncccc1-c1cccc(CCn2cnc3ccc(C(=O)CO)cc3c2=O)c1.COc1ccc(-c2cccc(CCn3cnc4ccc(C(=O)CO)cc4c3=O)c2)cn1.Cc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2ccn(CCc3cccc(-c4cccnc4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1.
What is the InChIKey of 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?
The InChIKey is UGKFPUMFRRXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4.C24H21N3O4.C24H20N2O3.C21H15N3O3.C17H14N2O3/c1-29(2,3)27(35)16-25-22(8-5-12-30-25)20-7-4-6-19(14-20)11-13-32-18-31-24-10-9-21(26(34)17-33)15-23(24)28(32)36;1-31-23-8-6-19(13-25-23)17-4-2-3-16(11-17)9-10-27-15-26-21-7-5-18(22(29)14-28)12-20(21)24(27)30;27-16-23(28)20-7-6-18-9-12-26(24(29)22(18)14-20)11-8-17-3-1-4-19(13-17)21-5-2-10-25-15-21;25-20(23-27)17-5-4-15-8-11-24(21(26)19(15)13-17)18-3-1-2-16(12-18)14-6-9-22-10-7-14;1-10-2-4-11(5-3-10)16-18-14-8-12(15(21)9-20)6-7-13(14)17(22)19-16/h4-10,12,14-15,18,33H,11,13,16-17H2,1-3H3;2-8,11-13,15,28H,9-10,14H2,1H3;1-7,9-10,12-15,27H,8,11,16H2;1-13,27H,(H,23,25);2-8,20H,9H2,1H3,(H,18,19,22).
What are the key properties of 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide?
3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide has a molecular weight of 1935.13 g/mol, XLogP of 15.65, 27 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-(3,3-dimethyl-2-oxobutyl)-3-pyridinyl]phenyl]ethyl]-6-(2-hydroxyacetyl)quinazolin-4-one;6-(2-hydroxyacetyl)-3-[2-[3-(6-methoxy-3-pyridinyl)phenyl]ethyl]quinazolin-4-one;7-(2-hydroxyacetyl)-2-(4-methylphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-[2-(3-pyridin-3-ylphenyl)ethyl]isoquinolin-1-one;N-hydroxy-1-oxo-2-(3-pyridin-4-ylphenyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 161085124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).