3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide

C118H106ClF3N16O21 — CID 158462235

IUPAC3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide
SMILESCCCC(C)n1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccccc1OCCn1ccc2ccc(C(=O)CO)cc2c1=O.Cn1c(CCc2ccncc2)nc2cc(C(=O)NO)ccc2c1=O.O=C(CO)c1ccc2c(=O)n(Cc3cccc(Cl)c3)cnc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4cccc(C(F)(F)F)c4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCN(C(=O)C3CC3)c3cccc(-n4cccn4)c3)c(=O)c2c1
InChIInChI=1S/C25H23N5O4.C24H17F3N2O3.C20H19NO5.C17H13ClN2O3.C17H16N4O3.C15H18N2O3/c31-23(27-34)19-8-5-17-9-12-28(25(33)22(17)15-19)13-14-29(24(32)18-6-7-18)20-3-1-4-21(16-20)30-11-2-10-26-30;25-24(26,27)19-6-2-5-17(10-19)16-4-1-3-15(9-16)12-29-14-28-21-8-7-18(22(31)13-30)11-20(21)23(29)32;1-25-18-4-2-3-5-19(18)26-11-10-21-9-8-14-6-7-15(17(23)13-22)12-16(14)20(21)24;18-13-3-1-2-11(6-13)8-20-10-19-15-7-12(16(22)9-21)4-5-14(15)17(20)23;1-21-15(5-2-11-6-8-18-9-7-11)19-14-10-12(16(22)20-24)3-4-13(14)17(21)23;1-3-4-10(2)17-8-7-11-5-6-12(14(18)16-20)9-13(11)15(17)19/h1-5,8-12,15-16,18,34H,6-7,13-14H2,(H,27,31);1-11,14,30H,12-13H2;2-9,12,22H,10-11,13H2,1H3;1-7,10,21H,8-9H2;3-4,6-10,24H,2,5H2,1H3,(H,20,22);5-10,20H,3-4H2,1-2H3,(H,16,18)
InChIKeyHFHZHDUTMZTVJF-UHFFFAOYSA-N
MW2176.68 g/mol
LogP15.31
Rot. Bonds31

About 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide

3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide (PubChem CID 158462235) has the molecular formula C118H106ClF3N16O21 and a molecular weight of 2176.68 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide
PubChem CID158462235
Molecular FormulaC118H106ClF3N16O21
Molecular Weight2176.68 g/mol
Exact Mass2174.74
IUPAC Name3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide
SMILESCCCC(C)n1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccccc1OCCn1ccc2ccc(C(=O)CO)cc2c1=O.Cn1c(CCc2ccncc2)nc2cc(C(=O)NO)ccc2c1=O.O=C(CO)c1ccc2c(=O)n(Cc3cccc(Cl)c3)cnc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4cccc(C(F)(F)F)c4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCN(C(=O)C3CC3)c3cccc(-n4cccn4)c3)c(=O)c2c1
InChIInChI=1S/C25H23N5O4.C24H17F3N2O3.C20H19NO5.C17H13ClN2O3.C17H16N4O3.C15H18N2O3/c31-23(27-34)19-8-5-17-9-12-28(25(33)22(17)15-19)13-14-29(24(32)18-6-7-18)20-3-1-4-21(16-20)30-11-2-10-26-30;25-24(26,27)19-6-2-5-17(10-19)16-4-1-3-15(9-16)12-29-14-28-21-8-7-18(22(31)13-30)11-20(21)23(29)32;1-25-18-4-2-3-5-19(18)26-11-10-21-9-8-14-6-7-15(17(23)13-22)12-16(14)20(21)24;18-13-3-1-2-11(6-13)8-20-10-19-15-7-12(16(22)9-21)4-5-14(15)17(20)23;1-21-15(5-2-11-6-8-18-9-7-11)19-14-10-12(16(22)20-24)3-4-13(14)17(21)23;1-3-4-10(2)17-8-7-11-5-6-12(14(18)16-20)9-13(11)15(17)19/h1-5,8-12,15-16,18,34H,6-7,13-14H2,(H,27,31);1-11,14,30H,12-13H2;2-9,12,22H,10-11,13H2,1H3;1-7,10,21H,8-9H2;3-4,6-10,24H,2,5H2,1H3,(H,20,22);5-10,20H,3-4H2,1-2H3,(H,16,18)
InChIKeyHFHZHDUTMZTVJF-UHFFFAOYSA-N
XLogP15.31
TPSA500.04 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002176.68
LogP ≤ 515.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide (CID 158462235) is 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide is CCCC(C)n1ccc2ccc(C(=O)NO)cc2c1=O.COc1ccccc1OCCn1ccc2ccc(C(=O)CO)cc2c1=O.Cn1c(CCc2ccncc2)nc2cc(C(=O)NO)ccc2c1=O.O=C(CO)c1ccc2c(=O)n(Cc3cccc(Cl)c3)cnc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4cccc(C(F)(F)F)c4)c3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCN(C(=O)C3CC3)c3cccc(-n4cccn4)c3)c(=O)c2c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide?
The InChIKey is HFHZHDUTMZTVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4.C24H17F3N2O3.C20H19NO5.C17H13ClN2O3.C17H16N4O3.C15H18N2O3/c31-23(27-34)19-8-5-17-9-12-28(25(33)22(17)15-19)13-14-29(24(32)18-6-7-18)20-3-1-4-21(16-20)30-11-2-10-26-30;25-24(26,27)19-6-2-5-17(10-19)16-4-1-3-15(9-16)12-29-14-28-21-8-7-18(22(31)13-30)11-20(21)23(29)32;1-25-18-4-2-3-5-19(18)26-11-10-21-9-8-14-6-7-15(17(23)13-22)12-16(14)20(21)24;18-13-3-1-2-11(6-13)8-20-10-19-15-7-12(16(22)9-21)4-5-14(15)17(20)23;1-21-15(5-2-11-6-8-18-9-7-11)19-14-10-12(16(22)20-24)3-4-13(14)17(21)23;1-3-4-10(2)17-8-7-11-5-6-12(14(18)16-20)9-13(11)15(17)19/h1-5,8-12,15-16,18,34H,6-7,13-14H2,(H,27,31);1-11,14,30H,12-13H2;2-9,12,22H,10-11,13H2,1H3;1-7,10,21H,8-9H2;3-4,6-10,24H,2,5H2,1H3,(H,20,22);5-10,20H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide?
3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide has a molecular weight of 2176.68 g/mol, XLogP of 15.31, 31 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-7-(2-hydroxyacetyl)quinazolin-4-one;2-[2-[N-(cyclopropanecarbonyl)-3-pyrazol-1-ylanilino]ethyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-(2-methoxyphenoxy)ethyl]isoquinolin-1-one;6-(2-hydroxyacetyl)-3-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one;N-hydroxy-3-methyl-4-oxo-2-(2-pyridin-4-ylethyl)quinazoline-7-carboxamide;N-hydroxy-1-oxo-2-pentan-2-ylisoquinoline-7-carboxamide is sourced from PubChem (CID 158462235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).