3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide

C23H20N4O2 — CID 58186966

IUPAC3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide
SMILESCc1nc2cc(/C(N)=N/O)ccc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-15-25-20-14-18(22(24)26-29)12-13-19(20)23(28)27(15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,29H,1H3,(H2,24,26)
InChIKeyCZXMGWNRGCHUMJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.44
Rot. Bonds4

About 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide

3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide (PubChem CID 58186966) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide.

Molecular Properties

Compound Name3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide
PubChem CID58186966
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide
SMILESCc1nc2cc(/C(N)=N/O)ccc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N4O2/c1-15-25-20-14-18(22(24)26-29)12-13-19(20)23(28)27(15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,29H,1H3,(H2,24,26)
InChIKeyCZXMGWNRGCHUMJ-UHFFFAOYSA-N
XLogP3.44
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide?
The IUPAC name of 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide (CID 58186966) is 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide.
What is the SMILES notation for 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide?
The canonical SMILES for 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide is Cc1nc2cc(/C(N)=N/O)ccc2c(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide?
The InChIKey is CZXMGWNRGCHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-25-20-14-18(22(24)26-29)12-13-19(20)23(28)27(15)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21,29H,1H3,(H2,24,26).
What are the key properties of 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide?
3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide has a molecular weight of 384.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-N'-hydroxy-2-methyl-4-oxoquinazoline-7-carboximidamide is sourced from PubChem (CID 58186966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).