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

C17H15N3OS — CID 143597622

IUPAC3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
SMILESOc1cccc(CNc2ncnc3ccc4c(c23)CCS4)c1
InChIInChI=1S/C17H15N3OS/c21-12-3-1-2-11(8-12)9-18-17-16-13-6-7-22-15(13)5-4-14(16)19-10-20-17/h1-5,8,10,21H,6-7,9H2,(H,18,19,20)
InChIKeyAXCJTRBTLDWVHL-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.60
Rot. Bonds3

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

3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol (PubChem CID 143597622) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
PubChem CID143597622
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
SMILESOc1cccc(CNc2ncnc3ccc4c(c23)CCS4)c1
InChIInChI=1S/C17H15N3OS/c21-12-3-1-2-11(8-12)9-18-17-16-13-6-7-22-15(13)5-4-14(16)19-10-20-17/h1-5,8,10,21H,6-7,9H2,(H,18,19,20)
InChIKeyAXCJTRBTLDWVHL-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol 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

N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597625
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
CID 143597711
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
CID 143597708
N-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597630
4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol
CID 59345071
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
3-[[(8-amino-7H-purin-6-yl)amino]methyl]phenol
CID 89439792
3-fluoro-N-[3-[[(5-fluoroquinazolin-4-yl)amino]methyl]phenyl]benzamide
CID 78901220
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440

Frequently Asked Questions

What is the IUPAC name of 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol?
The IUPAC name of 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol (CID 143597622) is 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol.
What is the SMILES notation for 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol?
The canonical SMILES for 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol is Oc1cccc(CNc2ncnc3ccc4c(c23)CCS4)c1.
What is the InChIKey of 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol?
The InChIKey is AXCJTRBTLDWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-12-3-1-2-11(8-12)9-18-17-16-13-6-7-22-15(13)5-4-14(16)19-10-20-17/h1-5,8,10,21H,6-7,9H2,(H,18,19,20).
What are the key properties of 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol?
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol has a molecular weight of 309.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol is sourced from PubChem (CID 143597622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).