2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one

C15H13N3OS — CID 4863812

IUPAC2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
SMILESCC(=Nn1c(C)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C15H13N3OS/c1-10(14-8-5-9-20-14)17-18-11(2)16-13-7-4-3-6-12(13)15(18)19/h3-9H,1-2H3
InChIKeyMGUTWBZAEKOWAW-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.04
Rot. Bonds2

About 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one

2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one (PubChem CID 4863812) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
PubChem CID4863812
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
SMILESCC(=Nn1c(C)nc2ccccc2c1=O)c1cccs1
InChIInChI=1S/C15H13N3OS/c1-10(14-8-5-9-20-14)17-18-11(2)16-13-7-4-3-6-12(13)15(18)19/h3-9H,1-2H3
InChIKeyMGUTWBZAEKOWAW-UHFFFAOYSA-N
XLogP3.04
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
CID 6009700
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
3-[1-(4-aminophenyl)ethylideneamino]-2-phenylquinazolin-4-one
CID 170995267
3-(3-propan-2-yloxypropyl)-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]quinazolin-4-one
CID 8984080
N-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3507122
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 781499
(2E)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,3-thiazolidin-4-one
CID 137241669
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
CID 15046298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one (CID 4863812) is 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one is CC(=Nn1c(C)nc2ccccc2c1=O)c1cccs1.
What is the InChIKey of 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one?
The InChIKey is MGUTWBZAEKOWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10(14-8-5-9-20-14)17-18-11(2)16-13-7-4-3-6-12(13)15(18)19/h3-9H,1-2H3.
What are the key properties of 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one?
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one has a molecular weight of 283.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one is sourced from PubChem (CID 4863812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).