4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide

C18H17N3O3 — CID 142751614

IUPAC4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
SMILESCc1ccc2nc(C)n(Cc3ccc(C(=O)NO)cc3)c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-11-3-8-16-15(9-11)18(23)21(12(2)19-16)10-13-4-6-14(7-5-13)17(22)20-24/h3-9,24H,10H2,1-2H3,(H,20,22)
InChIKeyYGXTXENWDCRFKU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.18
Rot. Bonds3

About 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide

4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide (PubChem CID 142751614) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
PubChem CID142751614
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
SMILESCc1ccc2nc(C)n(Cc3ccc(C(=O)NO)cc3)c(=O)c2c1
InChIInChI=1S/C18H17N3O3/c1-11-3-8-16-15(9-11)18(23)21(12(2)19-16)10-13-4-6-14(7-5-13)17(22)20-24/h3-9,24H,10H2,1-2H3,(H,20,22)
InChIKeyYGXTXENWDCRFKU-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 164543802
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
CID 87413107
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
2-[4-(dimethylamino)phenyl]-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
CID 87413166
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
CID 170904125
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
CID 15915184

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide (CID 142751614) is 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide is Cc1ccc2nc(C)n(Cc3ccc(C(=O)NO)cc3)c(=O)c2c1.
What is the InChIKey of 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide?
The InChIKey is YGXTXENWDCRFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-3-8-16-15(9-11)18(23)21(12(2)19-16)10-13-4-6-14(7-5-13)17(22)20-24/h3-9,24H,10H2,1-2H3,(H,20,22).
What are the key properties of 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide?
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide has a molecular weight of 323.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 142751614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).