2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol

C17H15N3OS — CID 143597711

IUPAC2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
SMILESCc1cccc(O)c1Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C17H15N3OS/c1-10-3-2-4-13(21)16(10)20-17-15-11-7-8-22-14(11)6-5-12(15)18-9-19-17/h2-6,9,21H,7-8H2,1H3,(H,18,19,20)
InChIKeyNVURNBDRUGFLMO-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.04
Rot. Bonds2

About 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol

2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol (PubChem CID 143597711) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol.

Molecular Properties

Compound Name2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
PubChem CID143597711
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
SMILESCc1cccc(O)c1Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C17H15N3OS/c1-10-3-2-4-13(21)16(10)20-17-15-11-7-8-22-14(11)6-5-12(15)18-9-19-17/h2-6,9,21H,7-8H2,1H3,(H,18,19,20)
InChIKeyNVURNBDRUGFLMO-UHFFFAOYSA-N
XLogP4.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol 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-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
CID 143597708
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
CID 143597636
N-(3-ethynylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597651
N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597630
N-(4-phenylbutan-2-yl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597699
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2,3-dihydroinden-1-one
CID 143597659
N-[(2E)-2-ethenyl-1-phenylpenta-2,4-dienyl]-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597653
N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine
CID 143597567
2-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]phenol
CID 59345061
4-(2,5-dichloroanilino)quinazolin-5-ol
CID 135830925
N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol?
The IUPAC name of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol (CID 143597711) is 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol.
What is the SMILES notation for 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol?
The canonical SMILES for 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol is Cc1cccc(O)c1Nc1ncnc2ccc3c(c12)CCS3.
What is the InChIKey of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol?
The InChIKey is NVURNBDRUGFLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-10-3-2-4-13(21)16(10)20-17-15-11-7-8-22-14(11)6-5-12(15)18-9-19-17/h2-6,9,21H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol?
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol has a molecular weight of 309.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol is sourced from PubChem (CID 143597711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).