2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide

C101H100N18O20 — CID 157259759

IUPAC2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide
SMILESCC(C)(COc1ccccc1)n1cnc2ccc(C(=O)NO)cc2c1=O.CCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.CN(C)Cc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.O=C(CO)c1ccc2c(=O)[nH]c(C3CCCCC3)nc2c1.O=C(NO)c1ccc2ncn(C3(c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C20H21N3O3.C19H19N3O4.C18H15N3O3.C16H18N2O3.C15H12N4O4.C13H15N3O3/c1-22(2)12-16-13-23(11-14-6-4-3-5-7-14)20(25)18-10-15(19(24)21-26)8-9-17(16)18;1-19(2,11-26-14-6-4-3-5-7-14)22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;22-16(20-24)12-6-7-15-14(10-12)17(23)21(11-19-15)18(8-9-18)13-4-2-1-3-5-13;19-9-14(20)11-6-7-12-13(8-11)17-15(18-16(12)21)10-4-2-1-3-5-10;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;1-3-7(2)11-14-10-6-8(12(17)16-19)4-5-9(10)13(18)15-11/h3-10,13,26H,11-12H2,1-2H3,(H,21,24);3-10,12,25H,11H2,1-2H3,(H,21,23);1-7,10-11,24H,8-9H2,(H,20,22);6-8,10,19H,1-5,9H2,(H,17,18,21);2-7,22H,1H3,(H,19,20)(H,17,18,21);4-7,19H,3H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyAXHXCJLNVQXYAC-UHFFFAOYSA-N
MW1886.02 g/mol
LogP11.43
Rot. Bonds22

About 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide

2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide (PubChem CID 157259759) has the molecular formula C101H100N18O20 and a molecular weight of 1886.02 g/mol. Its IUPAC name is 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide
PubChem CID157259759
Molecular FormulaC101H100N18O20
Molecular Weight1886.02 g/mol
Exact Mass1884.74
IUPAC Name2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide
SMILESCC(C)(COc1ccccc1)n1cnc2ccc(C(=O)NO)cc2c1=O.CCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.CN(C)Cc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.O=C(CO)c1ccc2c(=O)[nH]c(C3CCCCC3)nc2c1.O=C(NO)c1ccc2ncn(C3(c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C20H21N3O3.C19H19N3O4.C18H15N3O3.C16H18N2O3.C15H12N4O4.C13H15N3O3/c1-22(2)12-16-13-23(11-14-6-4-3-5-7-14)20(25)18-10-15(19(24)21-26)8-9-17(16)18;1-19(2,11-26-14-6-4-3-5-7-14)22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;22-16(20-24)12-6-7-15-14(10-12)17(23)21(11-19-15)18(8-9-18)13-4-2-1-3-5-13;19-9-14(20)11-6-7-12-13(8-11)17-15(18-16(12)21)10-4-2-1-3-5-10;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;1-3-7(2)11-14-10-6-8(12(17)16-19)4-5-9(10)13(18)15-11/h3-10,13,26H,11-12H2,1-2H3,(H,21,24);3-10,12,25H,11H2,1-2H3,(H,21,23);1-7,10-11,24H,8-9H2,(H,20,22);6-8,10,19H,1-5,9H2,(H,17,18,21);2-7,22H,1H3,(H,19,20)(H,17,18,21);4-7,19H,3H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyAXHXCJLNVQXYAC-UHFFFAOYSA-N
XLogP11.43
TPSA547.57 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.02
LogP ≤ 511.43
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide?
The IUPAC name of 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide (CID 157259759) is 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide.
What is the SMILES notation for 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide?
The canonical SMILES for 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide is CC(C)(COc1ccccc1)n1cnc2ccc(C(=O)NO)cc2c1=O.CCC(C)c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.CN(C)Cc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccncc1-c1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.O=C(CO)c1ccc2c(=O)[nH]c(C3CCCCC3)nc2c1.O=C(NO)c1ccc2ncn(C3(c4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide?
The InChIKey is AXHXCJLNVQXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C19H19N3O4.C18H15N3O3.C16H18N2O3.C15H12N4O4.C13H15N3O3/c1-22(2)12-16-13-23(11-14-6-4-3-5-7-14)20(25)18-10-15(19(24)21-26)8-9-17(16)18;1-19(2,11-26-14-6-4-3-5-7-14)22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;22-16(20-24)12-6-7-15-14(10-12)17(23)21(11-19-15)18(8-9-18)13-4-2-1-3-5-13;19-9-14(20)11-6-7-12-13(8-11)17-15(18-16(12)21)10-4-2-1-3-5-10;1-23-12-4-5-16-7-10(12)13-17-11-6-8(14(20)19-22)2-3-9(11)15(21)18-13;1-3-7(2)11-14-10-6-8(12(17)16-19)4-5-9(10)13(18)15-11/h3-10,13,26H,11-12H2,1-2H3,(H,21,24);3-10,12,25H,11H2,1-2H3,(H,21,23);1-7,10-11,24H,8-9H2,(H,20,22);6-8,10,19H,1-5,9H2,(H,17,18,21);2-7,22H,1H3,(H,19,20)(H,17,18,21);4-7,19H,3H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide?
2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide has a molecular weight of 1886.02 g/mol, XLogP of 11.43, 22 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(dimethylamino)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-butan-2-yl-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-cyclohexyl-7-(2-hydroxyacetyl)-3H-quinazolin-4-one;N-hydroxy-2-(4-methoxy-3-pyridinyl)-4-oxo-3H-quinazoline-7-carboxamide;N-hydroxy-3-(2-methyl-1-phenoxypropan-2-yl)-4-oxoquinazoline-6-carboxamide;N-hydroxy-4-oxo-3-(1-phenylcyclopropyl)quinazoline-6-carboxamide is sourced from PubChem (CID 157259759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).