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

C16H13N3OS — CID 143597708

IUPAC2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
SMILESOc1ccccc1Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C16H13N3OS/c20-13-4-2-1-3-11(13)19-16-15-10-7-8-21-14(10)6-5-12(15)17-9-18-16/h1-6,9,20H,7-8H2,(H,17,18,19)
InChIKeyXLVJVRUKNSQJDR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.73
Rot. Bonds2

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

2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol (PubChem CID 143597708) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol.

Molecular Properties

Compound Name2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
PubChem CID143597708
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol
SMILESOc1ccccc1Nc1ncnc2ccc3c(c12)CCS3
InChIInChI=1S/C16H13N3OS/c20-13-4-2-1-3-11(13)19-16-15-10-7-8-21-14(10)6-5-12(15)17-9-18-16/h1-6,9,20H,7-8H2,(H,17,18,19)
InChIKeyXLVJVRUKNSQJDR-UHFFFAOYSA-N
XLogP3.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-3-methylphenol
CID 143597711
2-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]phenol
CID 59345061
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622
N-(3-ethynylphenyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597651
5-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)-2-methylbenzonitrile
CID 143597636
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-(1-pyridin-4-ylethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597630
4-(2,5-dichloroanilino)quinazolin-5-ol
CID 135830925
2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011492
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol?
The IUPAC name of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol (CID 143597708) is 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol.
What is the SMILES notation for 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol?
The canonical SMILES for 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol is Oc1ccccc1Nc1ncnc2ccc3c(c12)CCS3.
What is the InChIKey of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol?
The InChIKey is XLVJVRUKNSQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-13-4-2-1-3-11(13)19-16-15-10-7-8-21-14(10)6-5-12(15)17-9-18-16/h1-6,9,20H,7-8H2,(H,17,18,19).
What are the key properties of 2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol?
2-(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)phenol has a molecular weight of 295.37 g/mol, XLogP of 3.73, 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)phenol is sourced from PubChem (CID 143597708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).