N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide

C22H24N4O4 — CID 150096934

IUPACN-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide
SMILESCN1CCC(n2c(=O)c3ccccc3n(Cc3ccc(C(=O)NO)cc3)c2=O)CC1
InChIInChI=1S/C22H24N4O4/c1-24-12-10-17(11-13-24)26-21(28)18-4-2-3-5-19(18)25(22(26)29)14-15-6-8-16(9-7-15)20(27)23-30/h2-9,17,30H,10-14H2,1H3,(H,23,27)
InChIKeyDULAGHGTHPQQIJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.60
Rot. Bonds4

About N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide

N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide (PubChem CID 150096934) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide
PubChem CID150096934
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide
SMILESCN1CCC(n2c(=O)c3ccccc3n(Cc3ccc(C(=O)NO)cc3)c2=O)CC1
InChIInChI=1S/C22H24N4O4/c1-24-12-10-17(11-13-24)26-21(28)18-4-2-3-5-19(18)25(22(26)29)14-15-6-8-16(9-7-15)20(27)23-30/h2-9,17,30H,10-14H2,1H3,(H,23,27)
InChIKeyDULAGHGTHPQQIJ-UHFFFAOYSA-N
XLogP1.60
TPSA96.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
4-[[3-[2-(1,2-dihydroxycyclohexyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151253154
4-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151448807
4-[[3-[2-(3-chloro-4-methoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151340752
N-hydroxy-4-[(2-methyl-5-oxoimidazo[1,2-c]quinazolin-6-yl)methyl]benzamide
CID 171037927
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
1-fluoro-2-hydroperoxyethyne;N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 53394750
N-hydroxy-4-[(6-methyl-4,7-dioxo-3,6,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),13,15,17-tetraen-19-yl)methyl]benzamide
CID 130265519

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide (CID 150096934) is N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide is CN1CCC(n2c(=O)c3ccccc3n(Cc3ccc(C(=O)NO)cc3)c2=O)CC1.
What is the InChIKey of N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
The InChIKey is DULAGHGTHPQQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-12-10-17(11-13-24)26-21(28)18-4-2-3-5-19(18)25(22(26)29)14-15-6-8-16(9-7-15)20(27)23-30/h2-9,17,30H,10-14H2,1H3,(H,23,27).
What are the key properties of N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide?
N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-(1-methylpiperidin-4-yl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide is sourced from PubChem (CID 150096934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).