(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol

C19H18FN3OS — CID 32520767

IUPAC(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
SMILESO[C@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m1/s1
InChIKeyCRJSZBITQABXIC-QGZVFWFLSA-N
MW355.44 g/mol
LogP4.17
Rot. Bonds6

About (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol

(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol (PubChem CID 32520767) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
PubChem CID32520767
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol
SMILESO[C@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m1/s1
InChIKeyCRJSZBITQABXIC-QGZVFWFLSA-N
XLogP4.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol (CID 32520767) is (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol is O[C@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1.
What is the InChIKey of (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
The InChIKey is CRJSZBITQABXIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-13-7-5-12(6-8-13)17(24)11-25-19-22-16-4-2-1-3-15(16)18(23-19)21-14-9-10-14/h1-8,14,17,24H,9-11H2,(H,21,22,23)/t17-/m1/s1.
What are the key properties of (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol?
(1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol has a molecular weight of 355.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 32520767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).