(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide

C19H17N3O3 — CID 71811226

IUPAC(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13-20-17-11-14(8-10-18(23)21-25)7-9-16(17)19(24)22(13)12-15-5-3-2-4-6-15/h2-11,25H,12H2,1H3,(H,21,23)/b10-8+
InChIKeyDROCPQHWNIUOQA-CSKARUKUSA-N
MW335.36 g/mol
LogP2.27
Rot. Bonds4

About (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide

(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide (PubChem CID 71811226) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide
PubChem CID71811226
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide
SMILESCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H17N3O3/c1-13-20-17-11-14(8-10-18(23)21-25)7-9-16(17)19(24)22(13)12-15-5-3-2-4-6-15/h2-11,25H,12H2,1H3,(H,21,23)/b10-8+
InChIKeyDROCPQHWNIUOQA-CSKARUKUSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.27
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)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide (CID 71811226) is (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide is Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide?
The InChIKey is DROCPQHWNIUOQA-CSKARUKUSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-20-17-11-14(8-10-18(23)21-25)7-9-16(17)19(24)22(13)12-15-5-3-2-4-6-15/h2-11,25H,12H2,1H3,(H,21,23)/b10-8+.
What are the key properties of (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide?
(E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-benzyl-2-methyl-4-oxoquinazolin-7-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71811226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).