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

C19H16N4O2 — CID 3992517

IUPAC3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCn1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-23-18(24)15-8-3-5-9-16(15)21-19(23)25/h3-12H,2H2,1H3,(H,21,25)
InChIKeyIOFVDUMXIDHWGG-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.55
Rot. Bonds3

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

3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3992517) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3992517
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCCn1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21
InChIInChI=1S/C19H16N4O2/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-23-18(24)15-8-3-5-9-16(15)21-19(23)25/h3-12H,2H2,1H3,(H,21,25)
InChIKeyIOFVDUMXIDHWGG-UHFFFAOYSA-N
XLogP2.55
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.55
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-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4023231
2-[3-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]acetic acid
CID 3438652
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 6880783
3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3950270
3-[(2-ethoxynaphthalen-1-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3293662
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5217285
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
3-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135652455
3-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3886355
3-[[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126368333
3-[(1-ethylindol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126290786

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione (CID 3992517) is 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione is CCn1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21.
What is the InChIKey of 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is IOFVDUMXIDHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-2-22-12-13(14-7-4-6-10-17(14)22)11-20-23-18(24)15-8-3-5-9-16(15)21-19(23)25/h3-12H,2H2,1H3,(H,21,25).
What are the key properties of 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).