[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol

C17H17N3O2S — CID 166260662

IUPAC[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
SMILESOC[C@@H]1COC[C@@H]1Nc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H17N3O2S/c21-7-12-8-22-9-15(12)19-17-13-3-1-2-4-14(13)18-16(20-17)11-5-6-23-10-11/h1-6,10,12,15,21H,7-9H2,(H,18,19,20)/t12-,15+/m1/s1
InChIKeyAFWJYSJIIIDSNV-DOMZBBRYSA-N
MW327.41 g/mol
LogP2.78
Rot. Bonds4

About [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol

[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol (PubChem CID 166260662) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
PubChem CID166260662
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
SMILESOC[C@@H]1COC[C@@H]1Nc1nc(-c2ccsc2)nc2ccccc12
InChIInChI=1S/C17H17N3O2S/c21-7-12-8-22-9-15(12)19-17-13-3-1-2-4-14(13)18-16(20-17)11-5-6-23-10-11/h1-6,10,12,15,21H,7-9H2,(H,18,19,20)/t12-,15+/m1/s1
InChIKeyAFWJYSJIIIDSNV-DOMZBBRYSA-N
XLogP2.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol?
The IUPAC name of [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol (CID 166260662) is [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol?
The canonical SMILES for [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol is OC[C@@H]1COC[C@@H]1Nc1nc(-c2ccsc2)nc2ccccc12.
What is the InChIKey of [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol?
The InChIKey is AFWJYSJIIIDSNV-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-7-12-8-22-9-15(12)19-17-13-3-1-2-4-14(13)18-16(20-17)11-5-6-23-10-11/h1-6,10,12,15,21H,7-9H2,(H,18,19,20)/t12-,15+/m1/s1.
What are the key properties of [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol?
[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol has a molecular weight of 327.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol is sourced from PubChem (CID 166260662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).