4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol

C17H15N3O3S — CID 59345071

IUPAC4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol
SMILESO=S1(=O)CCc2c1ccc1ncnc(NCc3ccc(O)cc3)c21
InChIInChI=1S/C17H15N3O3S/c21-12-3-1-11(2-4-12)9-18-17-16-13-7-8-24(22,23)15(13)6-5-14(16)19-10-20-17/h1-6,10,21H,7-9H2,(H,18,19,20)
InChIKeyGPXIWKJYFUOANM-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.28
Rot. Bonds3

About 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol

4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol (PubChem CID 59345071) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol
PubChem CID59345071
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol
SMILESO=S1(=O)CCc2c1ccc1ncnc(NCc3ccc(O)cc3)c21
InChIInChI=1S/C17H15N3O3S/c21-12-3-1-11(2-4-12)9-18-17-16-13-7-8-24(22,23)15(13)6-5-14(16)19-10-20-17/h1-6,10,21H,7-9H2,(H,18,19,20)
InChIKeyGPXIWKJYFUOANM-UHFFFAOYSA-N
XLogP2.28
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol with MolForge

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Related Compounds

(2R)-1-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]propan-2-ol
CID 59344992
N-(cyclopropylmethyl)-7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 59344996
2-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]phenol
CID 59345061
[5-[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]-3-pyridinyl]methanol
CID 59345068
2-N-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 59345040
3-[(8,9-dihydrothieno[3,2-f]quinazolin-1-ylamino)methyl]phenol
CID 143597622
N-(pyridin-4-ylmethyl)-8,9-dihydrothieno[3,2-f]quinazolin-1-amine
CID 143597625
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
[4-[[(5,6-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]methanediol
CID 57125967
4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
CID 114332604
3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243

Frequently Asked Questions

What is the IUPAC name of 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol (CID 59345071) is 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol is O=S1(=O)CCc2c1ccc1ncnc(NCc3ccc(O)cc3)c21.
What is the InChIKey of 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol?
The InChIKey is GPXIWKJYFUOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-12-3-1-11(2-4-12)9-18-17-16-13-7-8-24(22,23)15(13)6-5-14(16)19-10-20-17/h1-6,10,21H,7-9H2,(H,18,19,20).
What are the key properties of 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol?
4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol has a molecular weight of 341.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)amino]methyl]phenol is sourced from PubChem (CID 59345071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).