3-anilino-1-ethyl-2H-quinazoline-4-thione

C16H17N3S — CID 13402205

IUPAC3-anilino-1-ethyl-2H-quinazoline-4-thione
SMILESCCN1CN(Nc2ccccc2)C(=S)c2ccccc21
InChIInChI=1S/C16H17N3S/c1-2-18-12-19(17-13-8-4-3-5-9-13)16(20)14-10-6-7-11-15(14)18/h3-11,17H,2,12H2,1H3
InChIKeyDEJUPPXBYJIVDA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.49
Rot. Bonds3

About 3-anilino-1-ethyl-2H-quinazoline-4-thione

3-anilino-1-ethyl-2H-quinazoline-4-thione (PubChem CID 13402205) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-anilino-1-ethyl-2H-quinazoline-4-thione.

Molecular Properties

Compound Name3-anilino-1-ethyl-2H-quinazoline-4-thione
PubChem CID13402205
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-anilino-1-ethyl-2H-quinazoline-4-thione
SMILESCCN1CN(Nc2ccccc2)C(=S)c2ccccc21
InChIInChI=1S/C16H17N3S/c1-2-18-12-19(17-13-8-4-3-5-9-13)16(20)14-10-6-7-11-15(14)18/h3-11,17H,2,12H2,1H3
InChIKeyDEJUPPXBYJIVDA-UHFFFAOYSA-N
XLogP3.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-hydroxy-2H-quinazoline-4-thione
CID 13402123
3-anilino-7-chloro-1-methyl-2H-quinazoline-4-thione
CID 13402206
1-ethyl-2H-indol-3-one
CID 22323565
3-anilino-1-(4-methylphenyl)-2H-quinazolin-4-one
CID 13402257
CID 174524249
CID 174524249
1-(4-chlorobutyl)-3-ethyl-2H-benzimidazole
CID 174253153
1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
CID 174457366
1,3-diethyl-N-phenyl-4,5-dihydroimidazol-1-ium-2-carbothioamide
CID 11673348
(3R)-N-ethyl-3-(3-ethyl-2H-benzimidazol-1-yl)-3-phenylpropan-1-amine
CID 174549501
4-anilino-3-ethyl-1H-1,2,4-triazole-5-thione
CID 13402338
3-ethyl-2H-1,3-benzoxazole
CID 19969378
1,3-diethyl-4H-quinazolin-2-one
CID 22323562

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-ethyl-2H-quinazoline-4-thione?
The IUPAC name of 3-anilino-1-ethyl-2H-quinazoline-4-thione (CID 13402205) is 3-anilino-1-ethyl-2H-quinazoline-4-thione.
What is the SMILES notation for 3-anilino-1-ethyl-2H-quinazoline-4-thione?
The canonical SMILES for 3-anilino-1-ethyl-2H-quinazoline-4-thione is CCN1CN(Nc2ccccc2)C(=S)c2ccccc21.
What is the InChIKey of 3-anilino-1-ethyl-2H-quinazoline-4-thione?
The InChIKey is DEJUPPXBYJIVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-18-12-19(17-13-8-4-3-5-9-13)16(20)14-10-6-7-11-15(14)18/h3-11,17H,2,12H2,1H3.
What are the key properties of 3-anilino-1-ethyl-2H-quinazoline-4-thione?
3-anilino-1-ethyl-2H-quinazoline-4-thione has a molecular weight of 283.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-ethyl-2H-quinazoline-4-thione is sourced from PubChem (CID 13402205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).