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

C24H18N4O2 — CID 4023231

IUPAC3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H18N4O2/c29-23-20-11-4-6-12-21(20)26-24(30)28(23)25-14-18-16-27(15-17-8-2-1-3-9-17)22-13-7-5-10-19(18)22/h1-14,16H,15H2,(H,26,30)
InChIKeyXMKFYESBXSSFPF-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.58
Rot. Bonds4

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

3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 4023231) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID4023231
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H18N4O2/c29-23-20-11-4-6-12-21(20)26-24(30)28(23)25-14-18-16-27(15-17-8-2-1-3-9-17)22-13-7-5-10-19(18)22/h1-14,16H,15H2,(H,26,30)
InChIKeyXMKFYESBXSSFPF-UHFFFAOYSA-N
XLogP3.58
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.58
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-ethylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3992517
2-[3-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]indol-1-yl]acetic acid
CID 3438652
3-[(E)-(1-benzylindol-3-yl)methylideneamino]-8-bromo-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 6880783
6-bromo-3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-tert-butylquinazolin-4-one
CID 126310991
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126407233
6-bromo-3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-propylquinazolin-4-one
CID 126342500
6-bromo-2-methyl-3-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126296546
6-bromo-3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-[(2R)-butan-2-yl]quinazolin-4-one
CID 126320913
3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306389
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
6-bromo-3-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126292686
3-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135613701

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione (CID 4023231) is 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1N=Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is XMKFYESBXSSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-23-20-11-4-6-12-21(20)26-24(30)28(23)25-14-18-16-27(15-17-8-2-1-3-9-17)22-13-7-5-10-19(18)22/h1-14,16H,15H2,(H,26,30).
What are the key properties of 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 394.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylindol-3-yl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4023231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).