7-methoxy-3,4-dihydro-1H-quinazoline-2-thione

C9H10N2OS — CID 84773181

IUPAC7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
SMILESCOc1ccc2c(c1)NC(=S)NC2
InChIInChI=1S/C9H10N2OS/c1-12-7-3-2-6-5-10-9(13)11-8(6)4-7/h2-4H,5H2,1H3,(H2,10,11,13)
InChIKeyLPHYEJDGACNHJN-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.50
Rot. Bonds1

About 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione

7-methoxy-3,4-dihydro-1H-quinazoline-2-thione (PubChem CID 84773181) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione.

Molecular Properties

Compound Name7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
PubChem CID84773181
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
SMILESCOc1ccc2c(c1)NC(=S)NC2
InChIInChI=1S/C9H10N2OS/c1-12-7-3-2-6-5-10-9(13)11-8(6)4-7/h2-4H,5H2,1H3,(H2,10,11,13)
InChIKeyLPHYEJDGACNHJN-UHFFFAOYSA-N
XLogP1.50
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methoxy-3,4-dihydro-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

7-methoxy-3,4-dihydro-1,3-benzoxazine-2-thione
CID 84773574
(3S)-7-methoxy-3-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
CID 87090554
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
6-methoxy-3-methyl-1,2-dihydroisoquinoline
CID 69142122
7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 136817259
6-methoxy-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84773571
3,3-diethyl-7-methoxy-4,5-dihydro-1H-1,5-benzodiazepin-2-one
CID 113308841
8-methoxy-1-oxo-4,5-dihydro-1λ4,4-benzothiazepin-3-one
CID 54562668
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
6-methoxy-3,4-dihydro-1,4-benzoxazin-2-one
CID 84656764
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione?
The IUPAC name of 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione (CID 84773181) is 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione.
What is the SMILES notation for 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione?
The canonical SMILES for 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione is COc1ccc2c(c1)NC(=S)NC2.
What is the InChIKey of 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione?
The InChIKey is LPHYEJDGACNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-12-7-3-2-6-5-10-9(13)11-8(6)4-7/h2-4H,5H2,1H3,(H2,10,11,13).
What are the key properties of 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione?
7-methoxy-3,4-dihydro-1H-quinazoline-2-thione has a molecular weight of 194.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydro-1H-quinazoline-2-thione is sourced from PubChem (CID 84773181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).