6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione

C19H21N3O2S — CID 15996835

IUPAC6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione
SMILESCOc1cc2[nH]c(=S)nc(NCCc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25)
InChIKeyVIORPVHNIUUNAI-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.27
Rot. Bonds6

About 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione

6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione (PubChem CID 15996835) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione.

Molecular Properties

Compound Name6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione
PubChem CID15996835
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione
SMILESCOc1cc2[nH]c(=S)nc(NCCc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25)
InChIKeyVIORPVHNIUUNAI-UHFFFAOYSA-N
XLogP4.27
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-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

4-(1,3-benzodioxol-5-ylmethylamino)-1H-quinazoline-2-thione
CID 3677186
6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione
CID 3239316
6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione
CID 3243470
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-6,7-dimethoxyquinazoline-2(1H)-thione
CID 16001900
1H-Quinazoline-2-thione, 6,7-dimethoxy-4-(4-methylbenzylamino)-
CID 6426428
1-(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-methyl-1-phenethyl-thiourea
CID 1166348
2-(benzylsulfanyl)-6,7-dimethoxy-3-(3-methoxypropyl)-4(3H)-quinazolinimine
CID 2766004
1-[1-(3,4-Dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 2955943
1-(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-ethyl-1-(2-m-tolyl-ethyl)-thiourea
CID 3177226
4-(benzylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
CID 4204373
6,7-dimethoxy-4-(3-methylbutylamino)-1H-quinazoline-2-thione
CID 4204374
N-[2-(3,4-Dimethoxyphenyl)ethyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-YL)amino]hexanamide
CID 12004817

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione?
The IUPAC name of 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione (CID 15996835) is 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione.
What is the SMILES notation for 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione?
The canonical SMILES for 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione is COc1cc2[nH]c(=S)nc(NCCc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione?
The InChIKey is VIORPVHNIUUNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)8-9-20-18-14-10-16(23-2)17(24-3)11-15(14)21-19(25)22-18/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione?
6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione has a molecular weight of 355.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[2-(4-methylphenyl)ethylamino]-1H-quinazoline-2-thione is sourced from PubChem (CID 15996835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).