2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

C102H97F3N18O20 — CID 158516393

IUPAC2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCC(C)(C)c1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.CC(C)Cc1nc2cc(C(=O)NO)ccc2c(=O)n1C.CCn1nccc1-c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1.COc1cccc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.Cc1cccc(Cn2cnc3cc(C(=O)CO)ccc3c2=O)c1.Cc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1
InChIInChI=1S/C22H18F3N5O3.C20H21N3O4.C18H16N2O4.C18H16N2O3.C14H17N3O3.C10H9N3O3/c1-2-30-18(9-10-26-30)19-27-17-11-14(20(31)28-33)5-8-16(17)21(32)29(19)12-13-3-6-15(7-4-13)22(23,24)25;1-20(2,3)13-5-4-6-14(10-13)27-11-17-21-16-9-12(18(24)23-26)7-8-15(16)19(25)22-17;1-24-15-4-2-3-12(9-15)11-20-8-7-13-5-6-14(17(21)19-23)10-16(13)18(20)22;1-12-3-2-4-13(7-12)9-20-11-19-16-8-14(17(22)10-21)5-6-15(16)18(20)23;1-8(2)6-12-15-11-7-9(13(18)16-20)4-5-10(11)14(19)17(12)3;1-5-11-8-4-6(9(14)13-16)2-3-7(8)10(15)12-5/h3-11,33H,2,12H2,1H3,(H,28,31);4-10,26H,11H2,1-3H3,(H,23,24)(H,21,22,25);2-10,23H,11H2,1H3,(H,19,21);2-8,11,21H,9-10H2,1H3;4-5,7-8,20H,6H2,1-3H3,(H,16,18);2-4,16H,1H3,(H,13,14)(H,11,12,15)
InChIKeyHLRGPQDKUVEVHT-UHFFFAOYSA-N
MW1952.00 g/mol
LogP12.09
Rot. Bonds21

About 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide

2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (PubChem CID 158516393) has the molecular formula C102H97F3N18O20 and a molecular weight of 1952.00 g/mol. Its IUPAC name is 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
PubChem CID158516393
Molecular FormulaC102H97F3N18O20
Molecular Weight1952.00 g/mol
Exact Mass1950.71
IUPAC Name2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
SMILESCC(C)(C)c1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.CC(C)Cc1nc2cc(C(=O)NO)ccc2c(=O)n1C.CCn1nccc1-c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1.COc1cccc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.Cc1cccc(Cn2cnc3cc(C(=O)CO)ccc3c2=O)c1.Cc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1
InChIInChI=1S/C22H18F3N5O3.C20H21N3O4.C18H16N2O4.C18H16N2O3.C14H17N3O3.C10H9N3O3/c1-2-30-18(9-10-26-30)19-27-17-11-14(20(31)28-33)5-8-16(17)21(32)29(19)12-13-3-6-15(7-4-13)22(23,24)25;1-20(2,3)13-5-4-6-14(10-13)27-11-17-21-16-9-12(18(24)23-26)7-8-15(16)19(25)22-17;1-24-15-4-2-3-12(9-15)11-20-8-7-13-5-6-14(17(21)19-23)10-16(13)18(20)22;1-12-3-2-4-13(7-12)9-20-11-19-16-8-14(17(22)10-21)5-6-15(16)18(20)23;1-8(2)6-12-15-11-7-9(13(18)16-20)4-5-10(11)14(19)17(12)3;1-5-11-8-4-6(9(14)13-16)2-3-7(8)10(15)12-5/h3-11,33H,2,12H2,1H3,(H,28,31);4-10,26H,11H2,1-3H3,(H,23,24)(H,21,22,25);2-10,23H,11H2,1H3,(H,19,21);2-8,11,21H,9-10H2,1H3;4-5,7-8,20H,6H2,1-3H3,(H,16,18);2-4,16H,1H3,(H,13,14)(H,11,12,15)
InChIKeyHLRGPQDKUVEVHT-UHFFFAOYSA-N
XLogP12.09
TPSA538.40 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.00
LogP ≤ 512.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The IUPAC name of 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide (CID 158516393) is 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The canonical SMILES for 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is CC(C)(C)c1cccc(OCc2nc3cc(C(=O)NO)ccc3c(=O)[nH]2)c1.CC(C)Cc1nc2cc(C(=O)NO)ccc2c(=O)n1C.CCn1nccc1-c1nc2cc(C(=O)NO)ccc2c(=O)n1Cc1ccc(C(F)(F)F)cc1.COc1cccc(Cn2ccc3ccc(C(=O)NO)cc3c2=O)c1.Cc1cccc(Cn2cnc3cc(C(=O)CO)ccc3c2=O)c1.Cc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1.
What is the InChIKey of 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
The InChIKey is HLRGPQDKUVEVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3.C20H21N3O4.C18H16N2O4.C18H16N2O3.C14H17N3O3.C10H9N3O3/c1-2-30-18(9-10-26-30)19-27-17-11-14(20(31)28-33)5-8-16(17)21(32)29(19)12-13-3-6-15(7-4-13)22(23,24)25;1-20(2,3)13-5-4-6-14(10-13)27-11-17-21-16-9-12(18(24)23-26)7-8-15(16)19(25)22-17;1-24-15-4-2-3-12(9-15)11-20-8-7-13-5-6-14(17(21)19-23)10-16(13)18(20)22;1-12-3-2-4-13(7-12)9-20-11-19-16-8-14(17(22)10-21)5-6-15(16)18(20)23;1-8(2)6-12-15-11-7-9(13(18)16-20)4-5-10(11)14(19)17(12)3;1-5-11-8-4-6(9(14)13-16)2-3-7(8)10(15)12-5/h3-11,33H,2,12H2,1H3,(H,28,31);4-10,26H,11H2,1-3H3,(H,23,24)(H,21,22,25);2-10,23H,11H2,1H3,(H,19,21);2-8,11,21H,9-10H2,1H3;4-5,7-8,20H,6H2,1-3H3,(H,16,18);2-4,16H,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide?
2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide has a molecular weight of 1952.00 g/mol, XLogP of 12.09, 21 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylphenoxy)methyl]-N-hydroxy-4-oxo-3H-quinazoline-7-carboxamide;2-(2-ethylpyrazol-3-yl)-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide;7-(2-hydroxyacetyl)-3-[(3-methylphenyl)methyl]quinazolin-4-one;N-hydroxy-2-[(3-methoxyphenyl)methyl]-1-oxoisoquinoline-7-carboxamide;N-hydroxy-3-methyl-2-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide;N-hydroxy-2-methyl-4-oxo-3H-quinazoline-7-carboxamide is sourced from PubChem (CID 158516393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).