2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

C20H19N3O3 — CID 164543802

IUPAC2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NO)c(C2CC2)c1
InChIInChI=1S/C20H19N3O3/c1-12-21-18-5-3-2-4-16(18)20(25)23(12)11-13-6-9-15(19(24)22-26)17(10-13)14-7-8-14/h2-6,9-10,14,26H,7-8,11H2,1H3,(H,22,24)
InChIKeyJHWLRARHQRRNGL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.75
Rot. Bonds4

About 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide

2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (PubChem CID 164543802) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
PubChem CID164543802
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NO)c(C2CC2)c1
InChIInChI=1S/C20H19N3O3/c1-12-21-18-5-3-2-4-16(18)20(25)23(12)11-13-6-9-15(19(24)22-26)17(10-13)14-7-8-14/h2-6,9-10,14,26H,7-8,11H2,1H3,(H,22,24)
InChIKeyJHWLRARHQRRNGL-UHFFFAOYSA-N
XLogP2.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The IUPAC name of 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide (CID 164543802) is 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is Cc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NO)c(C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
The InChIKey is JHWLRARHQRRNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-21-18-5-3-2-4-16(18)20(25)23(12)11-13-6-9-15(19(24)22-26)17(10-13)14-7-8-14/h2-6,9-10,14,26H,7-8,11H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide?
2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-hydroxy-4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 164543802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).