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

C20H16N4O2 — CID 3393683

IUPAC3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCc1cccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H16N4O2/c1-14-6-4-7-15(12-14)23-11-5-8-16(23)13-21-24-19(25)17-9-2-3-10-18(17)22-20(24)26/h2-13H,1H3,(H,22,26)
InChIKeyWHGWSWUWQXHWQI-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.67
Rot. Bonds3

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

3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 3393683) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID3393683
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
SMILESCc1cccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C20H16N4O2/c1-14-6-4-7-15(12-14)23-11-5-8-16(23)13-21-24-19(25)17-9-2-3-10-18(17)22-20(24)26/h2-13H,1H3,(H,22,26)
InChIKeyWHGWSWUWQXHWQI-UHFFFAOYSA-N
XLogP2.67
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-yl)-3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]quinazolin-4-one
CID 126286768
3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4593191
3-[(4-hydroxy-3-iodophenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3970196
3-[(2-methyl-4-piperidin-1-ylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4313014
(1R,2S,6R,7R)-4-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126413542
3-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135652455
3-[[3-bromo-5-chloro-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3420611
3-[(4,5-diethoxy-2-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3897658
3-[[2-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 4280713
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 5217285
3-[[5-(dimethylamino)furan-2-yl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3888838

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione (CID 3393683) is 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione is Cc1cccc(-n2cccc2C=Nn2c(=O)[nH]c3ccccc3c2=O)c1.
What is the InChIKey of 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is WHGWSWUWQXHWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-6-4-7-15(12-14)23-11-5-8-16(23)13-21-24-19(25)17-9-2-3-10-18(17)22-20(24)26/h2-13H,1H3,(H,22,26).
What are the key properties of 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione?
3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3393683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).