(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide

C22H23N3O4 — CID 71811290

IUPAC(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccc(OC)cc1
InChIInChI=1S/C22H23N3O4/c1-3-20-23-19-14-16(7-11-21(26)24-28)6-10-18(19)22(27)25(20)13-12-15-4-8-17(29-2)9-5-15/h4-11,14,28H,3,12-13H2,1-2H3,(H,24,26)/b11-7+
InChIKeyDWWXXRKGLLUOGK-YRNVUSSQSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds7

About (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 71811290) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID71811290
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccc(OC)cc1
InChIInChI=1S/C22H23N3O4/c1-3-20-23-19-14-16(7-11-21(26)24-28)6-10-18(19)22(27)25(20)13-12-15-4-8-17(29-2)9-5-15/h4-11,14,28H,3,12-13H2,1-2H3,(H,24,26)/b11-7+
InChIKeyDWWXXRKGLLUOGK-YRNVUSSQSA-N
XLogP2.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
CID 11581337
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687
3-hydroxy-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 1487338
2,7-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 24951191
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 2112675
Sodium {3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanide
CID 3773368
3-[2-(4-Ethoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 4809024
T5567366
CID 7874936

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide (CID 71811290) is (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide is CCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccc(OC)cc1.
What is the InChIKey of (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is DWWXXRKGLLUOGK-YRNVUSSQSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-20-23-19-14-16(7-11-21(26)24-28)6-10-18(19)22(27)25(20)13-12-15-4-8-17(29-2)9-5-15/h4-11,14,28H,3,12-13H2,1-2H3,(H,24,26)/b11-7+.
What are the key properties of (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 71811290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).