2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide

C83H67ClF5N13O19 — CID 159657375

IUPAC2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)[nH]c(COc3ccc4c(c3)OCO4)nc2c1.O=C(NO)c1ccc2ccn(C3CCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCCOc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccc3Cl)c(=O)c2c1
InChIInChI=1S/C20H20N2O4.C17H13N3O6.C16H12ClN3O3.C16H8F5N3O3.C14H14N2O3/c23-19(21-25)16-9-8-15-10-12-22(20(24)18(15)14-16)11-4-5-13-26-17-6-2-1-3-7-17;21-16(20-23)9-1-3-11-12(5-9)18-15(19-17(11)22)7-24-10-2-4-13-14(6-10)26-8-25-13;17-13-4-2-1-3-11(13)8-20-9-18-14-6-5-10(15(21)19-23)7-12(14)16(20)22;17-10-8(11(18)13(20)14(21)12(10)19)4-24-5-22-9-2-1-6(15(25)23-27)3-7(9)16(24)26;17-13(15-19)10-5-4-9-6-7-16(11-2-1-3-11)14(18)12(9)8-10/h1-3,6-10,12,14,25H,4-5,11,13H2,(H,21,23);1-6,23H,7-8H2,(H,20,21)(H,18,19,22);1-7,9,23H,8H2,(H,19,21);1-3,5,27H,4H2,(H,23,25);4-8,11,19H,1-3H2,(H,15,17)
InChIKeyMSIQCARLUYXHIY-UHFFFAOYSA-N
MW1680.96 g/mol
LogP10.65
Rot. Bonds19

About 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide

2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide (PubChem CID 159657375) has the molecular formula C83H67ClF5N13O19 and a molecular weight of 1680.96 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide
PubChem CID159657375
Molecular FormulaC83H67ClF5N13O19
Molecular Weight1680.96 g/mol
Exact Mass1679.43
IUPAC Name2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)[nH]c(COc3ccc4c(c3)OCO4)nc2c1.O=C(NO)c1ccc2ccn(C3CCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCCOc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccc3Cl)c(=O)c2c1
InChIInChI=1S/C20H20N2O4.C17H13N3O6.C16H12ClN3O3.C16H8F5N3O3.C14H14N2O3/c23-19(21-25)16-9-8-15-10-12-22(20(24)18(15)14-16)11-4-5-13-26-17-6-2-1-3-7-17;21-16(20-23)9-1-3-11-12(5-9)18-15(19-17(11)22)7-24-10-2-4-13-14(6-10)26-8-25-13;17-13-4-2-1-3-11(13)8-20-9-18-14-6-5-10(15(21)19-23)7-12(14)16(20)22;17-10-8(11(18)13(20)14(21)12(10)19)4-24-5-22-9-2-1-6(15(25)23-27)3-7(9)16(24)26;17-13(15-19)10-5-4-9-6-7-16(11-2-1-3-11)14(18)12(9)8-10/h1-3,6-10,12,14,25H,4-5,11,13H2,(H,21,23);1-6,23H,7-8H2,(H,20,21)(H,18,19,22);1-7,9,23H,8H2,(H,19,21);1-3,5,27H,4H2,(H,23,25);4-8,11,19H,1-3H2,(H,15,17)
InChIKeyMSIQCARLUYXHIY-UHFFFAOYSA-N
XLogP10.65
TPSA443.10 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001680.96
LogP ≤ 510.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
2-amino-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
CID 158112457
2-[2-(2-chlorophenoxy)ethyl]-7-(2-hydroxyacetyl)isoquinolin-1-one;2-(diethylamino)-N-hydroxy-3-methyl-4-oxoquinazoline-6-carboxamide;2-[(3,5-dimethoxyphenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;2-(9H-fluoren-9-yl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-[[3-(methylsulfonylmethyl)phenyl]methyl]-4-oxoquinazoline-6-carboxamide
CID 158049926
N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide
CID 87413205
3-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-6-methylquinazolin-4-one
CID 52502459
tert-butyl 4-[[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl N-[3-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]propyl]-N-(4-methoxyphenyl)carbamate;2-[(2-chloro-6-fluorophenyl)methyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide;7-(2-hydroxyacetyl)-2-[2-[4-(thiadiazol-4-yl)phenoxy]ethyl]isoquinolin-1-one;N-hydroxy-2-[(4-methylsulfonylphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]quinazoline-6-carboxamide
CID 160616600
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 829638
tert-butyl 4-[2-[7-(hydroxycarbamoyl)-1-oxoisoquinolin-2-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[[7-(hydroxycarbamoyl)-4-oxo-3H-quinazolin-2-yl]methylamino]piperidine-1-carboxylate;3-(cyclopropylmethyl)-7-(2-hydroxyacetyl)quinazolin-4-one;N-[3-[3-[[6-(2-hydroxyacetyl)-4-oxoquinazolin-3-yl]methyl]phenyl]phenyl]acetamide;N-hydroxy-3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-6-carboxamide;N-hydroxy-3-[2-(3-methylpyrazol-1-yl)ethyl]-4-oxoquinazoline-6-carboxamide
CID 161309972
2-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413083
1,3-benzodioxol-5-yl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809794
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide (CID 159657375) is 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide is O=C(NO)c1ccc2c(=O)[nH]c(COc3ccc4c(c3)OCO4)nc2c1.O=C(NO)c1ccc2ccn(C3CCC3)c(=O)c2c1.O=C(NO)c1ccc2ccn(CCCCOc3ccccc3)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1.O=C(NO)c1ccc2ncn(Cc3ccccc3Cl)c(=O)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide?
The InChIKey is MSIQCARLUYXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4.C17H13N3O6.C16H12ClN3O3.C16H8F5N3O3.C14H14N2O3/c23-19(21-25)16-9-8-15-10-12-22(20(24)18(15)14-16)11-4-5-13-26-17-6-2-1-3-7-17;21-16(20-23)9-1-3-11-12(5-9)18-15(19-17(11)22)7-24-10-2-4-13-14(6-10)26-8-25-13;17-13-4-2-1-3-11(13)8-20-9-18-14-6-5-10(15(21)19-23)7-12(14)16(20)22;17-10-8(11(18)13(20)14(21)12(10)19)4-24-5-22-9-2-1-6(15(25)23-27)3-7(9)16(24)26;17-13(15-19)10-5-4-9-6-7-16(11-2-1-3-11)14(18)12(9)8-10/h1-3,6-10,12,14,25H,4-5,11,13H2,(H,21,23);1-6,23H,7-8H2,(H,20,21)(H,18,19,22);1-7,9,23H,8H2,(H,19,21);1-3,5,27H,4H2,(H,23,25);4-8,11,19H,1-3H2,(H,15,17).
What are the key properties of 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide?
2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide has a molecular weight of 1680.96 g/mol, XLogP of 10.65, 19 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxymethyl)-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;3-[(2-chlorophenyl)methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide;2-cyclobutyl-N-hydroxy-1-oxoisoquinoline-7-carboxamide;N-hydroxy-4-oxo-3-[(2,3,4,5,6-pentafluorophenyl)methyl]quinazoline-6-carboxamide;N-hydroxy-1-oxo-2-(4-phenoxybutyl)isoquinoline-7-carboxamide is sourced from PubChem (CID 159657375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).