[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol

C16H19N3O3S — CID 59344980

IUPAC[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol
SMILESO=S1(=O)CCc2c1ccc1ncnc(N3CCCC(CO)C3)c21
InChIInChI=1S/C16H19N3O3S/c20-9-11-2-1-6-19(8-11)16-15-12-5-7-23(21,22)14(12)4-3-13(15)17-10-18-16/h3-4,10-11,20H,1-2,5-9H2
InChIKeyNYTZMEJPHLDBAX-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.17
Rot. Bonds2

About [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol

[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol (PubChem CID 59344980) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol
PubChem CID59344980
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol
SMILESO=S1(=O)CCc2c1ccc1ncnc(N3CCCC(CO)C3)c21
InChIInChI=1S/C16H19N3O3S/c20-9-11-2-1-6-19(8-11)16-15-12-5-7-23(21,22)14(12)4-3-13(15)17-10-18-16/h3-4,10-11,20H,1-2,5-9H2
InChIKeyNYTZMEJPHLDBAX-UHFFFAOYSA-N
XLogP1.17
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol
CID 143597682
[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
CID 17424305
[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(1,2-oxazol-3-yl)methanone
CID 95896539
2-[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133356012
[1-[5-(2-chlorophenyl)-8-fluoroquinazolin-4-yl]piperidin-3-yl]methanol
CID 134220181
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
[1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidin-3-yl]methanol
CID 112726492
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
1-(5-piperidin-1-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134220212
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226

Frequently Asked Questions

What is the IUPAC name of [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol (CID 59344980) is [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol is O=S1(=O)CCc2c1ccc1ncnc(N3CCCC(CO)C3)c21.
What is the InChIKey of [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol?
The InChIKey is NYTZMEJPHLDBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-9-11-2-1-6-19(8-11)16-15-12-5-7-23(21,22)14(12)4-3-13(15)17-10-18-16/h3-4,10-11,20H,1-2,5-9H2.
What are the key properties of [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol?
[1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol has a molecular weight of 333.41 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7,7-dioxo-8,9-dihydrothieno[3,2-f]quinazolin-1-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 59344980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).