4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione

C19H18N4S — CID 135142494

IUPAC4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione
SMILESCc1ccc2nc(=S)n(CCc3c[nH]c4ccccc34)c(N)c2c1
InChIInChI=1S/C19H18N4S/c1-12-6-7-17-15(10-12)18(20)23(19(24)22-17)9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,21H,8-9,20H2,1H3
InChIKeyZMSSEWOKJTWMBE-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.38
Rot. Bonds3

About 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione

4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione (PubChem CID 135142494) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione.

Molecular Properties

Compound Name4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione
PubChem CID135142494
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione
SMILESCc1ccc2nc(=S)n(CCc3c[nH]c4ccccc34)c(N)c2c1
InChIInChI=1S/C19H18N4S/c1-12-6-7-17-15(10-12)18(20)23(19(24)22-17)9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,21H,8-9,20H2,1H3
InChIKeyZMSSEWOKJTWMBE-UHFFFAOYSA-N
XLogP4.38
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione 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-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
3-[2-(1H-indol-3-yl)ethyl]-2-methoxyquinazolin-4-one
CID 86115872
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
2-[2-(1H-indol-3-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
CID 3352170
2-methyl-12H-benzimidazolo[1,2-c]quinazoline-6-thione
CID 70383493
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214
N-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-(trifluoromethyl)quinazolin-6-yl]-3,5-dimethylbenzamide
CID 176910338
4-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 58608980
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
CID 90716219
N-[2-(1H-indol-3-yl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611714
3-[2-[3-[2-(1H-indol-3-yl)ethyl]-4-methyl-2,5-dipropylimidazol-1-ium-1-yl]ethyl]-1H-indole
CID 171352081
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione?
The IUPAC name of 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione (CID 135142494) is 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione.
What is the SMILES notation for 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione?
The canonical SMILES for 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione is Cc1ccc2nc(=S)n(CCc3c[nH]c4ccccc34)c(N)c2c1.
What is the InChIKey of 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione?
The InChIKey is ZMSSEWOKJTWMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-12-6-7-17-15(10-12)18(20)23(19(24)22-17)9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,21H,8-9,20H2,1H3.
What are the key properties of 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione?
4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione has a molecular weight of 334.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(1H-indol-3-yl)ethyl]-6-methylquinazoline-2-thione is sourced from PubChem (CID 135142494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).