2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide

C94H78N12O18 — CID 159867933

IUPAC2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide
SMILESCC(C)(Cn1cnc2ccc(C(=O)NO)cc2c1=O)Oc1ccccc1.COCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2c(=O)[nH]c(-c3ccc4ccccc4c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc4cccnc34)nc2c1
InChIInChI=1S/C20H14N2O3.C19H19N3O4.C19H13N3O3.C19H18N2O4.C17H14N2O4/c23-11-18(24)14-7-8-16-17(10-14)21-19(22-20(16)25)15-6-5-12-3-1-2-4-13(12)9-15;1-19(2,26-14-6-4-3-5-7-14)11-22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;23-10-16(24)12-6-7-13-15(9-12)21-18(22-19(13)25)14-5-1-3-11-4-2-8-20-17(11)14;1-25-12-15-11-21(10-13-5-3-2-4-6-13)19(23)17-9-14(18(22)20-24)7-8-16(15)17;1-23-12-5-2-10(3-6-12)16-18-14-8-11(15(21)9-20)4-7-13(14)17(22)19-16/h1-10,23H,11H2,(H,21,22,25);3-10,12,25H,11H2,1-2H3,(H,21,23);1-9,23H,10H2,(H,21,22,25);2-9,11,24H,10,12H2,1H3,(H,20,22);2-8,20H,9H2,1H3,(H,18,19,22)
InChIKeyNRYTUEVNBCIWJH-UHFFFAOYSA-N
MW1663.72 g/mol
LogP11.69
Rot. Bonds20

About 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide

2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide (PubChem CID 159867933) has the molecular formula C94H78N12O18 and a molecular weight of 1663.72 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide
PubChem CID159867933
Molecular FormulaC94H78N12O18
Molecular Weight1663.72 g/mol
Exact Mass1662.56
IUPAC Name2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide
SMILESCC(C)(Cn1cnc2ccc(C(=O)NO)cc2c1=O)Oc1ccccc1.COCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2c(=O)[nH]c(-c3ccc4ccccc4c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc4cccnc34)nc2c1
InChIInChI=1S/C20H14N2O3.C19H19N3O4.C19H13N3O3.C19H18N2O4.C17H14N2O4/c23-11-18(24)14-7-8-16-17(10-14)21-19(22-20(16)25)15-6-5-12-3-1-2-4-13(12)9-15;1-19(2,26-14-6-4-3-5-7-14)11-22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;23-10-16(24)12-6-7-13-15(9-12)21-18(22-19(13)25)14-5-1-3-11-4-2-8-20-17(11)14;1-25-12-15-11-21(10-13-5-3-2-4-6-13)19(23)17-9-14(18(22)20-24)7-8-16(15)17;1-23-12-5-2-10(3-6-12)16-18-14-8-11(15(21)9-20)4-7-13(14)17(22)19-16/h1-10,23H,11H2,(H,21,22,25);3-10,12,25H,11H2,1-2H3,(H,21,23);1-9,23H,10H2,(H,21,22,25);2-9,11,24H,10,12H2,1H3,(H,20,22);2-8,20H,9H2,1H3,(H,18,19,22)
InChIKeyNRYTUEVNBCIWJH-UHFFFAOYSA-N
XLogP11.69
TPSA445.28 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001663.72
LogP ≤ 511.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide?
The IUPAC name of 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide (CID 159867933) is 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide is CC(C)(Cn1cnc2ccc(C(=O)NO)cc2c1=O)Oc1ccccc1.COCc1cn(Cc2ccccc2)c(=O)c2cc(C(=O)NO)ccc12.COc1ccc(-c2nc3cc(C(=O)CO)ccc3c(=O)[nH]2)cc1.O=C(CO)c1ccc2c(=O)[nH]c(-c3ccc4ccccc4c3)nc2c1.O=C(CO)c1ccc2c(=O)[nH]c(-c3cccc4cccnc34)nc2c1.
What is the InChIKey of 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide?
The InChIKey is NRYTUEVNBCIWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3.C19H19N3O4.C19H13N3O3.C19H18N2O4.C17H14N2O4/c23-11-18(24)14-7-8-16-17(10-14)21-19(22-20(16)25)15-6-5-12-3-1-2-4-13(12)9-15;1-19(2,26-14-6-4-3-5-7-14)11-22-12-20-16-9-8-13(17(23)21-25)10-15(16)18(22)24;23-10-16(24)12-6-7-13-15(9-12)21-18(22-19(13)25)14-5-1-3-11-4-2-8-20-17(11)14;1-25-12-15-11-21(10-13-5-3-2-4-6-13)19(23)17-9-14(18(22)20-24)7-8-16(15)17;1-23-12-5-2-10(3-6-12)16-18-14-8-11(15(21)9-20)4-7-13(14)17(22)19-16/h1-10,23H,11H2,(H,21,22,25);3-10,12,25H,11H2,1-2H3,(H,21,23);1-9,23H,10H2,(H,21,22,25);2-9,11,24H,10,12H2,1H3,(H,20,22);2-8,20H,9H2,1H3,(H,18,19,22).
What are the key properties of 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide?
2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide has a molecular weight of 1663.72 g/mol, XLogP of 11.69, 20 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-4-(methoxymethyl)-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-(4-methoxyphenyl)-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-naphthalen-2-yl-3H-quinazolin-4-one;7-(2-hydroxyacetyl)-2-quinolin-8-yl-3H-quinazolin-4-one;N-hydroxy-3-(2-methyl-2-phenoxypropyl)-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 159867933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).