3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione

C20H21N3O4 — CID 3897658

IUPAC3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1cc(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OCC
InChIInChI=1S/C20H21N3O4/c1-4-26-17-10-13(3)14(11-18(17)27-5-2)12-21-23-19(24)15-8-6-7-9-16(15)22-20(23)25/h6-12H,4-5H2,1-3H3,(H,22,25)
InChIKeySONLZORWCLVNEG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.68
Rot. Bonds6

About 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3897658) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3897658
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCOc1cc(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OCC
InChIInChI=1S/C20H21N3O4/c1-4-26-17-10-13(3)14(11-18(17)27-5-2)12-21-23-19(24)15-8-6-7-9-16(15)22-20(23)25/h6-12H,4-5H2,1-3H3,(H,22,25)
InChIKeySONLZORWCLVNEG-UHFFFAOYSA-N
XLogP2.68
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]acetic acid
CID 4026684
3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3293662
ethyl (2S)-2-[5-bromo-4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]propanoate
CID 126365963
3-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126367803
3-[(3,4-diethoxy-5-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5137683
ethyl 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 3475424
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 5127721
ethyl 2-[5-(dimethylamino)-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 3556532
3-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3886355
3-[[2-bromo-3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126363711
3-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3652585

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 3897658) is 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione is CCOc1cc(C)c(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1OCC.
What is the InChIKey of 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is SONLZORWCLVNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-26-17-10-13(3)14(11-18(17)27-5-2)12-21-23-19(24)15-8-6-7-9-16(15)22-20(23)25/h6-12H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3897658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).