3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one

C24H19N3O4 — CID 7311918

IUPAC3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
SMILESCCOc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-2-31-20-13-11-18(12-14-20)26-23(25-22-9-4-3-8-21(22)24(26)28)15-10-17-6-5-7-19(16-17)27(29)30/h3-16H,2H2,1H3/b15-10+
InChIKeyRWTTYDFGOVLLJQ-XNTDXEJSSA-N
MW413.43 g/mol
LogP4.86
Rot. Bonds6

About 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one

3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one (PubChem CID 7311918) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
PubChem CID7311918
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
SMILESCCOc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C24H19N3O4/c1-2-31-20-13-11-18(12-14-20)26-23(25-22-9-4-3-8-21(22)24(26)28)15-10-17-6-5-7-19(16-17)27(29)30/h3-16H,2H2,1H3/b15-10+
InChIKeyRWTTYDFGOVLLJQ-XNTDXEJSSA-N
XLogP4.86
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(6-Methoxy-2-(3-nitrostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
CID 46861929
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
2,5-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11667985
5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11675333
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151210
6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151224
8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151331
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-dimethyl-4(3H)-quinazolinone
CID 23151367
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
3-(4-hydroxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
CID 5731104
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one (CID 7311918) is 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is CCOc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one?
The InChIKey is RWTTYDFGOVLLJQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-2-31-20-13-11-18(12-14-20)26-23(25-22-9-4-3-8-21(22)24(26)28)15-10-17-6-5-7-19(16-17)27(29)30/h3-16H,2H2,1H3/b15-10+.
What are the key properties of 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one?
3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one has a molecular weight of 413.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 7311918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).