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

C17H15N3O4 — CID 4302099

IUPAC3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-12-8-7-11(15(9-12)24-2)10-18-20-16(21)13-5-3-4-6-14(13)19-17(20)22/h3-10H,1-2H3,(H,19,22)
InChIKeyQAJHBUIDLPRRSA-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.59
Rot. Bonds4

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

3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 4302099) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID4302099
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-12-8-7-11(15(9-12)24-2)10-18-20-16(21)13-5-3-4-6-14(13)19-17(20)22/h3-10H,1-2H3,(H,19,22)
InChIKeyQAJHBUIDLPRRSA-UHFFFAOYSA-N
XLogP1.59
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.59
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-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5217285
3-[[1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4694424
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
3-[[2-[(2R)-butan-2-yl]oxy-5-chloro-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126348308
3-[[5-chloro-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3707913
3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3950270
3-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4285543
methyl 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2,6-dimethoxyphenoxy]acetate
CID 4224449
(2R)-2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126354804
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-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-8-methoxy-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 135927635

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 4302099) is 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione is COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is QAJHBUIDLPRRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-12-8-7-11(15(9-12)24-2)10-18-20-16(21)13-5-3-4-6-14(13)19-17(20)22/h3-10H,1-2H3,(H,19,22).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 325.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).