6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione

C13H17N3O3S — CID 3239316

IUPAC6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione
SMILESCOCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20)
InChIKeyXMVIBURZSLZRNO-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.37
Rot. Bonds6

About 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione

6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione (PubChem CID 3239316) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione
PubChem CID3239316
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione
SMILESCOCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20)
InChIKeyXMVIBURZSLZRNO-UHFFFAOYSA-N
XLogP2.37
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(2-Cyano-4,5-dimethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 3816273
4-(benzylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
CID 4204373
6,7-dimethoxy-4-(3-methylbutylamino)-1H-quinazoline-2-thione
CID 4204374
6,7-dimethoxy-4-{[2-(4-methylphenyl)ethyl]amino}quinazoline-2(1H)-thione
CID 15996835
6,7-Dimethoxy-4-{[(4-methoxyphenyl)methyl]amino}-1,2-dihydroquinazoline-2-thione
CID 15997297
4-{2-[(6,7-Dimethoxy-2-thioxo-1,2-dihydroquinazolin-4-yl)amino]ethyl}benzenesulfonamide
CID 16195481
4-({3-[ethyl(phenyl)amino]propyl}amino)-6,7-dimethoxyquinazoline-2(1H)-thione
CID 44522095
1-(4,5-Dimethoxy-2-methylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2406329
4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
CID 3237310

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione?
The IUPAC name of 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione (CID 3239316) is 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione.
What is the SMILES notation for 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione?
The canonical SMILES for 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione is COCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione?
The InChIKey is XMVIBURZSLZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-17-5-4-14-12-8-6-10(18-2)11(19-3)7-9(8)15-13(20)16-12/h6-7H,4-5H2,1-3H3,(H2,14,15,16,20).
What are the key properties of 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione?
6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione has a molecular weight of 295.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-methoxyethylamino)-1H-quinazoline-2-thione is sourced from PubChem (CID 3239316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).