3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione

C21H17N3O3 — CID 3293662

IUPAC3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H17N3O3/c1-2-27-19-12-11-14-7-3-4-8-15(14)17(19)13-22-24-20(25)16-9-5-6-10-18(16)23-21(24)26/h3-13H,2H2,1H3,(H,23,26)
InChIKeyOEQGCWILBJNKPF-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.12
Rot. Bonds4

About 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3293662) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3293662
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H17N3O3/c1-2-27-19-12-11-14-7-3-4-8-15(14)17(19)13-22-24-20(25)16-9-5-6-10-18(16)23-21(24)26/h3-13H,2H2,1H3,(H,23,26)
InChIKeyOEQGCWILBJNKPF-UHFFFAOYSA-N
XLogP3.12
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3950270
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
N-(4-chlorophenyl)-2-[1-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 3986666
3-[(2-methoxynaphthalen-1-yl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 23376507
3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5137683
2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]acetic acid
CID 4026684
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 5127721
3-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3652585
3-[(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3938367
3-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135716703
3-[(4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4563482
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 22771250

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione (CID 3293662) is 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione is CCOc1ccc2ccccc2c1C=Nn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is OEQGCWILBJNKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-27-19-12-11-14-7-3-4-8-15(14)17(19)13-22-24-20(25)16-9-5-6-10-18(16)23-21(24)26/h3-13H,2H2,1H3,(H,23,26).
What are the key properties of 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 359.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3293662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).