3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide

C120H98ClF3N16O20S — CID 161156939

IUPAC3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCc1ccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccccc1OCc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.Cc1nc(-c2ccccc2OCCn2ccc3ccc(C(=O)CO)cc3c2=O)cs1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3cccc4cccnc34)nc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4ccccc4Cl)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C27H18F3N3O3.C23H17ClN2O3.C23H20N2O4S.C17H15N3O4.C17H15N3O3.C13H13N3O3/c28-27(29,30)19-9-6-16(7-10-19)14-33-25(21-5-1-3-17-4-2-12-31-24(17)21)32-22-13-18(23(35)15-34)8-11-20(22)26(33)36;24-20-7-2-1-6-18(20)16-5-3-4-15(10-16)12-26-14-25-21-9-8-17(22(28)13-27)11-19(21)23(26)29;1-15-24-20(14-30-15)18-4-2-3-5-22(18)29-11-10-25-9-8-16-6-7-17(21(27)13-26)12-19(16)23(25)28;1-10-4-2-3-5-14(10)24-9-15-18-13-8-11(16(21)20-23)6-7-12(13)17(22)19-15;1-11-2-4-12(5-3-11)9-20-10-18-15-7-6-13(16(21)19-23)8-14(15)17(20)22;17-12(15-19)9-3-4-11-10(5-9)13(18)16(7-14-11)6-8-1-2-8/h1-13,34H,14-15H2;1-11,14,27H,12-13H2;2-9,12,14,26H,10-11,13H2,1H3;2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);2-8,10,23H,9H2,1H3,(H,19,21);3-5,7-8,19H,1-2,6H2,(H,15,17)
InChIKeyUPKLGEMUKMUPHP-UHFFFAOYSA-N
MW2208.71 g/mol
LogP17.21
Rot. Bonds27

About 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide

3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide (PubChem CID 161156939) has the molecular formula C120H98ClF3N16O20S and a molecular weight of 2208.71 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
PubChem CID161156939
Molecular FormulaC120H98ClF3N16O20S
Molecular Weight2208.71 g/mol
Exact Mass2206.65
IUPAC Name3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
SMILESCc1ccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccccc1OCc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.Cc1nc(-c2ccccc2OCCn2ccc3ccc(C(=O)CO)cc3c2=O)cs1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3cccc4cccnc34)nc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4ccccc4Cl)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CC3CC3)c(=O)c2c1
InChIInChI=1S/C27H18F3N3O3.C23H17ClN2O3.C23H20N2O4S.C17H15N3O4.C17H15N3O3.C13H13N3O3/c28-27(29,30)19-9-6-16(7-10-19)14-33-25(21-5-1-3-17-4-2-12-31-24(17)21)32-22-13-18(23(35)15-34)8-11-20(22)26(33)36;24-20-7-2-1-6-18(20)16-5-3-4-15(10-16)12-26-14-25-21-9-8-17(22(28)13-27)11-19(21)23(26)29;1-15-24-20(14-30-15)18-4-2-3-5-22(18)29-11-10-25-9-8-16-6-7-17(21(27)13-26)12-19(16)23(25)28;1-10-4-2-3-5-14(10)24-9-15-18-13-8-11(16(21)20-23)6-7-12(13)17(22)19-15;1-11-2-4-12(5-3-11)9-20-10-18-15-7-6-13(16(21)19-23)8-14(15)17(20)22;17-12(15-19)9-3-4-11-10(5-9)13(18)16(7-14-11)6-8-1-2-8/h1-13,34H,14-15H2;1-11,14,27H,12-13H2;2-9,12,14,26H,10-11,13H2,1H3;2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);2-8,10,23H,9H2,1H3,(H,19,21);3-5,7-8,19H,1-2,6H2,(H,15,17)
InChIKeyUPKLGEMUKMUPHP-UHFFFAOYSA-N
XLogP17.21
TPSA511.44 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.71
LogP ≤ 517.21
H-Bond Donors ≤ 510
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-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide (CID 161156939) is 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide is Cc1ccc(Cn2cnc3ccc(C(=O)NO)cc3c2=O)cc1.Cc1ccccc1OCc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.Cc1nc(-c2ccccc2OCCn2ccc3ccc(C(=O)CO)cc3c2=O)cs1.O=C(CO)c1ccc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)c(-c3cccc4cccnc34)nc2c1.O=C(CO)c1ccc2ncn(Cc3cccc(-c4ccccc4Cl)c3)c(=O)c2c1.O=C(NO)c1ccc2ncn(CC3CC3)c(=O)c2c1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
The InChIKey is UPKLGEMUKMUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O3.C23H17ClN2O3.C23H20N2O4S.C17H15N3O4.C17H15N3O3.C13H13N3O3/c28-27(29,30)19-9-6-16(7-10-19)14-33-25(21-5-1-3-17-4-2-12-31-24(17)21)32-22-13-18(23(35)15-34)8-11-20(22)26(33)36;24-20-7-2-1-6-18(20)16-5-3-4-15(10-16)12-26-14-25-21-9-8-17(22(28)13-27)11-19(21)23(26)29;1-15-24-20(14-30-15)18-4-2-3-5-22(18)29-11-10-25-9-8-16-6-7-17(21(27)13-26)12-19(16)23(25)28;1-10-4-2-3-5-14(10)24-9-15-18-13-8-11(16(21)20-23)6-7-12(13)17(22)19-15;1-11-2-4-12(5-3-11)9-20-10-18-15-7-6-13(16(21)19-23)8-14(15)17(20)22;17-12(15-19)9-3-4-11-10(5-9)13(18)16(7-14-11)6-8-1-2-8/h1-13,34H,14-15H2;1-11,14,27H,12-13H2;2-9,12,14,26H,10-11,13H2,1H3;2-8,23H,9H2,1H3,(H,20,21)(H,18,19,22);2-8,10,23H,9H2,1H3,(H,19,21);3-5,7-8,19H,1-2,6H2,(H,15,17).
What are the key properties of 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide?
3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide has a molecular weight of 2208.71 g/mol, XLogP of 17.21, 27 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)phenyl]methyl]-6-(2-hydroxyacetyl)quinazolin-4-one;3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-6-carboxamide;7-(2-hydroxyacetyl)-2-[2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one;N-hydroxy-2-[(2-methylphenoxy)methyl]-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 161156939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).