3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide

C23H19ClN4O3 — CID 87337371

IUPAC3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)n(Cc3ccccc3)c(NCc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C23H19ClN4O3/c24-18-9-6-15(7-10-18)13-25-23-26-20-12-17(21(29)27-31)8-11-19(20)22(30)28(23)14-16-4-2-1-3-5-16/h1-12,31H,13-14H2,(H,25,26)(H,27,29)
InChIKeyYTXYZOJRMHZRPY-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.83
Rot. Bonds6

About 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide

3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide (PubChem CID 87337371) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
PubChem CID87337371
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)n(Cc3ccccc3)c(NCc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C23H19ClN4O3/c24-18-9-6-15(7-10-18)13-25-23-26-20-12-17(21(29)27-31)8-11-19(20)22(30)28(23)14-16-4-2-1-3-5-16/h1-12,31H,13-14H2,(H,25,26)(H,27,29)
InChIKeyYTXYZOJRMHZRPY-UHFFFAOYSA-N
XLogP3.83
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
N'-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-chlorobenzohydrazide
CID 3308444
3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
CID 22609425
2-butan-2-yl-N-hydroxy-4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazoline-7-carboxamide
CID 87413107
3-benzyl-4-oxo-N-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052429
3-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide
CID 46360969
3-benzyl-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052459
4-[(2,6-dimethyl-4-oxoquinazolin-3-yl)methyl]-N-hydroxybenzamide
CID 142751614
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
4-[[2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46351136
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-(2-phenylethyl)-N-propylquinazoline-7-carboxamide
CID 46284183

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide (CID 87337371) is 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide is O=C(NO)c1ccc2c(=O)n(Cc3ccccc3)c(NCc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The InChIKey is YTXYZOJRMHZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c24-18-9-6-15(7-10-18)13-25-23-26-20-12-17(21(29)27-31)8-11-19(20)22(30)28(23)14-16-4-2-1-3-5-16/h1-12,31H,13-14H2,(H,25,26)(H,27,29).
What are the key properties of 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide?
3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 87337371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).