4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione

C15H21N3O3S — CID 3237310

IUPAC4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
SMILESCCOCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
InChIKeyLHQPXJJICRRINH-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.15
Rot. Bonds8

About 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione

4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione (PubChem CID 3237310) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
PubChem CID3237310
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione
SMILESCCOCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
InChIKeyLHQPXJJICRRINH-UHFFFAOYSA-N
XLogP3.15
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.15
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'}

Analyze 4-(3-ethoxypropylamino)-6,7-dimethoxy-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-(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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione?
The IUPAC name of 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione (CID 3237310) is 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione.
What is the SMILES notation for 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione?
The canonical SMILES for 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione is CCOCCCNc1nc(=S)[nH]c2cc(OC)c(OC)cc12.
What is the InChIKey of 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione?
The InChIKey is LHQPXJJICRRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22).
What are the key properties of 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione?
4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione has a molecular weight of 323.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quinazoline-2-thione is sourced from PubChem (CID 3237310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).