(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide

C20H19N3O3 — CID 71811225

IUPAC(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-21-18-13-16(8-10-19(24)22-26)7-9-17(18)20(25)23(14)12-11-15-5-3-2-4-6-15/h2-10,13,26H,11-12H2,1H3,(H,22,24)/b10-8+
InChIKeyNVEBAMFLYZFKKW-CSKARUKUSA-N
MW349.39 g/mol
LogP2.47
Rot. Bonds5

About (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide (PubChem CID 71811225) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide
PubChem CID71811225
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-14-21-18-13-16(8-10-19(24)22-26)7-9-17(18)20(25)23(14)12-11-15-5-3-2-4-6-15/h2-10,13,26H,11-12H2,1H3,(H,22,24)/b10-8+
InChIKeyNVEBAMFLYZFKKW-CSKARUKUSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide (CID 71811225) is (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide is Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1.
What is the InChIKey of (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide?
The InChIKey is NVEBAMFLYZFKKW-CSKARUKUSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-21-18-13-16(8-10-19(24)22-26)7-9-17(18)20(25)23(14)12-11-15-5-3-2-4-6-15/h2-10,13,26H,11-12H2,1H3,(H,22,24)/b10-8+.
What are the key properties of (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-methyl-4-oxo-3-(2-phenylethyl)quinazolin-7-yl]prop-2-enamide is sourced from PubChem (CID 71811225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).