[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol

C16H21N3OS — CID 79587309

IUPAC[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1ncnc2ccccc12
InChIInChI=1S/C16H21N3OS/c17-16(10-20)8-3-4-12(16)7-9-21-15-13-5-1-2-6-14(13)18-11-19-15/h1-2,5-6,11-12,20H,3-4,7-10,17H2
InChIKeyQNKWXPQETDKZKI-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.60
Rot. Bonds5

About [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol

[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol (PubChem CID 79587309) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
PubChem CID79587309
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol
SMILESNC1(CO)CCCC1CCSc1ncnc2ccccc12
InChIInChI=1S/C16H21N3OS/c17-16(10-20)8-3-4-12(16)7-9-21-15-13-5-1-2-6-14(13)18-11-19-15/h1-2,5-6,11-12,20H,3-4,7-10,17H2
InChIKeyQNKWXPQETDKZKI-UHFFFAOYSA-N
XLogP2.60
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol?
The IUPAC name of [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol (CID 79587309) is [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol is NC1(CO)CCCC1CCSc1ncnc2ccccc12.
What is the InChIKey of [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol?
The InChIKey is QNKWXPQETDKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-16(10-20)8-3-4-12(16)7-9-21-15-13-5-1-2-6-14(13)18-11-19-15/h1-2,5-6,11-12,20H,3-4,7-10,17H2.
What are the key properties of [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol?
[1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(2-quinazolin-4-ylsulfanylethyl)cyclopentyl]methanol is sourced from PubChem (CID 79587309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).